Compile Data Set for Download or QSAR
Found 1966 Enz. Inhib. hit(s) with Target = '5'-nucleotidase'
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
Affinity DataKi:  0.00500nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527135(CHEMBL4452072)
Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
Affinity DataKi:  0.318nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527135(CHEMBL4452072)
Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
Affinity DataKi:  0.381nMAssay Description:Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583394(CHEMBL5081267)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(I)cc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24IN3O11P2.2C6H15N/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  0.436nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583393(CHEMBL5083600)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(Br)cc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24BrN3O11P2.2C6H15N/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  0.441nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583396(CHEMBL5074970)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)S(F)(F)(F)(F)F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24F5N3O11P2S.2C6H15N/c1-25-14(24-35-8-11-2-4-12(5-3-11)40(19,20,21,22)23)6-7-26(18(25)29)17-16(28)15(27)13(37-17)9-36-39(33,34)10-38(30,31)32;2*1-4-7(5-2)6-3/h2-7,13,15-17,27-28H,8-10H2,1H3,(H,33,34)(H2,30,31,32);2*4-6H2,1-3H3/b24-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  0.511nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583400(CHEMBL5078828)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(=O)NCCN)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H31N5O12P2.2C6H15N/c1-25-16(24-36-10-13-2-4-14(5-3-13)19(29)23-8-7-22)6-9-26(21(25)30)20-18(28)17(27)15(38-20)11-37-40(34,35)12-39(31,32)33;2*1-4-7(5-2)6-3/h2-6,9,15,17-18,20,27-28H,7-8,10-12,22H2,1H3,(H,23,29)(H,34,35)(H2,31,32,33);2*4-6H2,1-3H3/b24-16-;;/t15-,17-,18-,20-;;/m1../s1
Affinity DataKi:  0.626nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583392(CHEMBL5080841)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(Cl)cc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24ClN3O11P2.2C6H15N/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  0.673nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527135(CHEMBL4452072)
Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
Affinity DataKi:  0.746nMAssay Description:Inhibition of recombinant rat CD73 expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527135(CHEMBL4452072)
Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
Affinity DataKi:  0.746nMAssay Description:Inhibition of rat CD73More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583397(CHEMBL5086866)
Show SMILES CCN(CC)CC.CCN(CC)CC.COC(=O)c1ccc(CO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1
Show InChI InChI=1S/C20H27N3O13P2.2C6H15N/c1-22-15(21-34-9-12-3-5-13(6-4-12)19(26)33-2)7-8-23(20(22)27)18-17(25)16(24)14(36-18)10-35-38(31,32)11-37(28,29)30;2*1-4-7(5-2)6-3/h3-8,14,16-18,24-25H,9-11H2,1-2H3,(H,31,32)(H2,28,29,30);2*4-6H2,1-3H3/b21-15-;;/t14-,16-,17-,18-;;/m1../s1
Affinity DataKi:  0.848nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50378656(CHEMBL598619)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)CP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m0/s1
Affinity DataKi:  0.870nMAssay Description:Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis methodMore data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583389(CHEMBL5076916)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cc1ccc(CO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1
Show InChI InChI=1S/C19H27N3O11P2.2C6H15N/c1-12-3-5-13(6-4-12)9-31-20-15-7-8-22(19(25)21(15)2)18-17(24)16(23)14(33-18)10-32-35(29,30)11-34(26,27)28;2*1-4-7(5-2)6-3/h3-8,14,16-18,23-24H,9-11H2,1-2H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-15-;;/t14-,16-,17-,18-;;/m1../s1
Affinity DataKi:  0.894nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50368125(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  0.910nMAssay Description:Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis methodMore data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583395(CHEMBL5084248)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(F)(F)F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24F3N3O11P2.2C6H15N/c1-24-14(23-34-8-11-2-4-12(5-3-11)19(20,21)22)6-7-25(18(24)28)17-16(27)15(26)13(36-17)9-35-38(32,33)10-37(29,30)31;2*1-4-7(5-2)6-3/h2-7,13,15-17,26-27H,8-10H2,1H3,(H,32,33)(H2,29,30,31);2*4-6H2,1-3H3/b23-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583391(CHEMBL5081442)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(F)cc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24FN3O11P2.2C6H15N/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583388(CHEMBL5081604)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1cccc(c1)C(F)(F)F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24F3N3O11P2.2C6H15N/c1-24-14(23-34-8-11-3-2-4-12(7-11)19(20,21)22)5-6-25(18(24)28)17-16(27)15(26)13(36-17)9-35-38(32,33)10-37(29,30)31;2*1-4-7(5-2)6-3/h2-7,13,15-17,26-27H,8-10H2,1H3,(H,32,33)(H2,29,30,31);2*4-6H2,1-3H3/b23-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  1.30nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583387(CHEMBL5079813)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1cccc(Cl)c1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24ClN3O11P2.2C6H15N/c1-21-14(20-31-8-11-3-2-4-12(19)7-11)5-6-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  1.60nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583386(CHEMBL5094601)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccccc1Cl)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H24ClN3O11P2.2C6H15N/c1-21-14(20-31-8-11-4-2-3-5-12(11)19)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28;2*1-4-7(5-2)6-3/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28);2*4-6H2,1-3H3/b20-14-;;/t13-,15-,16-,17-;;/m1../s1
Affinity DataKi:  1.60nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583401(CHEMBL5089752)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(=O)NCCCCN)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H35N5O12P2.2C6H15N/c1-27-18(26-38-12-15-4-6-16(7-5-15)21(31)25-10-3-2-9-24)8-11-28(23(27)32)22-20(30)19(29)17(40-22)13-39-42(36,37)14-41(33,34)35;2*1-4-7(5-2)6-3/h4-8,11,17,19-20,22,29-30H,2-3,9-10,12-14,24H2,1H3,(H,25,31)(H,36,37)(H2,33,34,35);2*4-6H2,1-3H3/b26-18-;;/t17-,19-,20-,22-;;/m1../s1
Affinity DataKi:  1.80nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583399(CHEMBL5076275)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(N)=O)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H26N4O12P2.2C6H15N/c1-22-14(21-33-8-11-2-4-12(5-3-11)17(20)26)6-7-23(19(22)27)18-16(25)15(24)13(35-18)9-34-37(31,32)10-36(28,29)30;2*1-4-7(5-2)6-3/h2-7,13,15-16,18,24-25H,8-10H2,1H3,(H2,20,26)(H,31,32)(H2,28,29,30);2*4-6H2,1-3H3/b21-14-;;/t13-,15-,16-,18-;;/m1../s1
Affinity DataKi:  1.80nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50546335(CHEMBL4755577)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Inhibition of human recombinant soluble CD73 assessed as inhibition constant by radiometric assayMore data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583402(CHEMBL5076684)
Show SMILES CCN(CC)CC.CCN(CC)CC.CCOC(=O)CCNC(=O)c1ccc(CO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1
Show InChI InChI=1S/C24H34N4O14P2.2C6H15N/c1-3-39-19(29)8-10-25-22(32)16-6-4-15(5-7-16)12-40-26-18-9-11-28(24(33)27(18)2)23-21(31)20(30)17(42-23)13-41-44(37,38)14-43(34,35)36;2*1-4-7(5-2)6-3/h4-7,9,11,17,20-21,23,30-31H,3,8,10,12-14H2,1-2H3,(H,25,32)(H,37,38)(H2,34,35,36);2*4-6H2,1-3H3/b26-18-;;/t17-,20-,21-,23-;;/m1../s1
Affinity DataKi:  2.5nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583403(CHEMBL5070874)
Show SMILES CCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(=O)NCCC(O)=O)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H30N4O14P2.2C6H15N/c1-25-16(24-38-10-13-2-4-14(5-3-13)20(31)23-8-6-17(27)28)7-9-26(22(25)32)21-19(30)18(29)15(40-21)11-39-42(36,37)12-41(33,34)35;2*1-4-7(5-2)6-3/h2-5,7,9,15,18-19,21,29-30H,6,8,10-12H2,1H3,(H,23,31)(H,27,28)(H,36,37)(H2,33,34,35);2*4-6H2,1-3H3/b24-16-;;/t15-,18-,19-,21-;;/m1../s1
Affinity DataKi:  2.60nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50522287(CHEMBL4438573)
Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12
Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)
Affinity DataKi:  2.60nMAssay Description:Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50522285(CHEMBL4549109)
Show SMILES [Na+].CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H22N7O4P.Na/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23;/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32);/q;+1/p-1
Affinity DataKi:  2.70nMAssay Description:Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50561892(CHEMBL4795486)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCCCCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12
Show InChI InChI=1S/C46H47N7O16P2/c54-28-10-13-31-34(18-28)67-35-19-29(55)11-14-32(35)46(31)33-17-27(9-12-30(33)45(60)69-46)43(59)48-16-4-2-1-3-15-47-42(58)26-7-5-25(6-8-26)20-49-40-37-41(51-22-50-40)53(23-52-37)44-39(57)38(56)36(68-44)21-66-71(64,65)24-70(61,62)63/h5-14,17-19,22-23,36,38-39,44,54-57H,1-4,15-16,20-21,24H2,(H,47,58)(H,48,59)(H,64,65)(H,49,50,51)(H2,61,62,63)/t36-,38-,39-,44-/m1/s1
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527131(CHEMBL4585872)
Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  3.30nMAssay Description:Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50583390(CHEMBL5093165)
Show SMILES CCN(CC)CC.CCN(CC)CC.CCc1ccc(CO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1
Show InChI InChI=1S/C20H29N3O11P2.2C6H15N/c1-3-13-4-6-14(7-5-13)10-32-21-16-8-9-23(20(26)22(16)2)19-18(25)17(24)15(34-19)11-33-36(30,31)12-35(27,28)29;2*1-4-7(5-2)6-3/h4-9,15,17-19,24-25H,3,10-12H2,1-2H3,(H,30,31)(H2,27,28,29);2*4-6H2,1-3H3/b21-16-;;/t15-,17-,18-,19-;;/m1../s1
Affinity DataKi:  3.5nMAssay Description:Inhibition of human soluble CD73 assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527131(CHEMBL4585872)
Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  3.60nMAssay Description:Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523511(CHEMBL4443977)
Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1
Affinity DataKi:  3.70nMAssay Description:Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523526(CHEMBL3606064)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Affinity DataKi:  4.5nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50561892(CHEMBL4795486)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCCCCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12
Show InChI InChI=1S/C46H47N7O16P2/c54-28-10-13-31-34(18-28)67-35-19-29(55)11-14-32(35)46(31)33-17-27(9-12-30(33)45(60)69-46)43(59)48-16-4-2-1-3-15-47-42(58)26-7-5-25(6-8-26)20-49-40-37-41(51-22-50-40)53(23-52-37)44-39(57)38(56)36(68-44)21-66-71(64,65)24-70(61,62)63/h5-14,17-19,22-23,36,38-39,44,54-57H,1-4,15-16,20-21,24H2,(H,47,58)(H,48,59)(H,64,65)(H,49,50,51)(H2,61,62,63)/t36-,38-,39-,44-/m1/s1
Affinity DataKi:  4.60nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523510(CHEMBL4483379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O
Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1
Affinity DataKi:  4.60nMAssay Description:Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527138(CHEMBL4475460)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  4.60nMAssay Description:Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50437933(CHEMBL2408703)
Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-9-10-17-14(11-13)19(23)15(20(27-17)26-4-2)12-22-16-7-5-6-8-18(16)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)
Affinity DataKi:  4.70nMAssay Description:Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 minsMore data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
Affinity DataKi:  5nMAssay Description:Competitive reversible inhibition of human C-terminal His6-tagged CD73 expressed in HEK293 cells using AMP as substrate preincubated with substrate f...More data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
Affinity DataKi:  5nMAssay Description:Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in HEK293 cells using AMP as substrate preincubated for 1 h...More data for this Ligand-Target Pair
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523526(CHEMBL3606064)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Affinity DataKi:  5.30nMAssay Description:Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523510(CHEMBL4483379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O
Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1
Affinity DataKi:  5.70nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527138(CHEMBL4475460)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  5.90nMAssay Description:Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523527(CHEMBL4443094)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1
Affinity DataKi:  6.30nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523527(CHEMBL4443094)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1
Affinity DataKi:  6.90nMAssay Description:Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523511(CHEMBL4443977)
Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1
Affinity DataKi:  8nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523529(CHEMBL4551648)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1
Affinity DataKi:  10nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523511(CHEMBL4443977)
Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50561893(CHEMBL4761798)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12
Show InChI InChI=1S/C46H47N7O18P2/c54-28-6-9-31-34(18-28)69-35-19-29(55)7-10-32(35)46(31)33-17-27(5-8-30(33)45(60)71-46)43(59)48-12-14-67-16-15-66-13-11-47-42(58)26-3-1-25(2-4-26)20-49-40-37-41(51-22-50-40)53(23-52-37)44-39(57)38(56)36(70-44)21-68-73(64,65)24-72(61,62)63/h1-10,17-19,22-23,36,38-39,44,54-57H,11-16,20-21,24H2,(H,47,58)(H,48,59)(H,64,65)(H,49,50,51)(H2,61,62,63)/t36-,38-,39-,44-/m1/s1
Affinity DataKi:  13nMAssay Description:Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50165144(CHEMBL3798753)
Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-8-3-4-9-17(15)26-19)11-21-13-6-5-7-14(10-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+
Affinity DataKi:  14nMAssay Description:Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 minsMore data for this Ligand-Target Pair
Target5'-nucleotidase(Rattus norvegicus (Rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523510(CHEMBL4483379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O
Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-nucleotidase(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50523529(CHEMBL4551648)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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