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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50008915   
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
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523511
PNG
(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 |r|
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
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3.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523526
PNG
(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 |r|
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
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4.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523510
PNG
(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 |r|
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
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4.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523526
PNG
(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 |r|
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
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5.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523510
PNG
(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 |r|
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
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5.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523527
PNG
(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 |r|
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
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6.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523527
PNG
(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 |r|
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
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6.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523511
PNG
(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 |r|
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
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8n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523529
PNG
(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 |r|
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
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523511
PNG
(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 |r|
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
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523529
PNG
(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 |r|
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
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14n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523510
PNG
(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 |r|
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
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14n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523526
PNG
(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 |r|
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
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523528
PNG
(CHEMBL4470616)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1
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16n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50523528
PNG
(CHEMBL4470616)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1
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17n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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 method


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523527
PNG
(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 |r|
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
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19n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523529
PNG
(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 |r|
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
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523528
PNG
(CHEMBL4470616)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1
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85n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523545
PNG
(CHEMBL4538320)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15ClN2O11P2/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
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87n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523532
PNG
(CHEMBL4457058)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15BrN2O11P2/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
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89n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523552
PNG
(CHEMBL4561816)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H18N4O9P2/c13-10-6-1-2-16(11(6)15-4-14-10)12-9(18)8(17)7(25-12)3-24-27(22,23)5-26(19,20)21/h1-2,4,7-9,12,17-18H,3,5H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t7-,8-,9-,12-/m1/s1
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89n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523521
PNG
(CHEMBL4299847)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C17H23N3O11P2/c21-14-12(9-30-33(27,28)10-32(24,25)26)31-16(15(14)22)20-7-6-13(18-17(20)23)19-29-8-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
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112n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50319142
PNG
(5-Iodouridine5'-Methylenediphosphate Triethylammon...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15IN2O11P2/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
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162n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM18136
PNG
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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-/m1/s1
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167n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523547
PNG
(CHEMBL1198873)
Show SMILES CO\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C11H19N3O11P2/c1-23-13-7-2-3-14(11(17)12-7)10-9(16)8(15)6(25-10)4-24-27(21,22)5-26(18,19)20/h2-3,6,8-10,15-16H,4-5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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257n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523523
PNG
(CHEMBL4440236)
Show SMILES CCn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H27N3O11P2/c1-2-21-15(20-31-10-13-6-4-3-5-7-13)8-9-22(19(21)25)18-17(24)16(23)14(33-18)11-32-35(29,30)12-34(26,27)28/h3-9,14,16-18,23-24H,2,10-12H2,1H3,(H,29,30)(H2,26,27,28)/b20-15+/t14-,16-,17-,18-/m1/s1
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262n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523550
PNG
(CHEMBL4462889)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H16N2O11P2/c1-2-6-3-14(12(18)13-10(6)17)11-9(16)8(15)7(25-11)4-24-27(22,23)5-26(19,20)21/h1,3,7-9,11,15-16H,4-5H2,(H,22,23)(H,13,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1
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276n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523514
PNG
(CHEMBL4474742)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]\c1=N\OCc1ccccc1 |r|
Show InChI InChI=1S/C18H25N3O11P2/c1-11-7-21(18(24)19-16(11)20-30-8-12-5-3-2-4-6-12)17-15(23)14(22)13(32-17)9-31-34(28,29)10-33(25,26)27/h2-7,13-15,17,22-23H,8-10H2,1H3,(H,28,29)(H,19,20,24)(H2,25,26,27)/t13-,14-,15-,17-/m1/s1
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321n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523541
PNG
(CHEMBL3606109)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H18N2O11P2/c1-5-2-13(11(17)12-9(5)16)10-8(15)7(14)6(24-10)3-23-26(21,22)4-25(18,19)20/h2,6-8,10,14-15H,3-4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1
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338n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523519
PNG
(CHEMBL4441328)
Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16FN3O10P2/c11-4-1-14(10(17)13-8(4)12)9-7(16)6(15)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,15-16H,2-3H2,(H,21,22)(H2,12,13,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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349n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523533
PNG
(CHEMBL4574475)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(C(Cl)=C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17ClN2O11P2/c1-5(13)6-2-15(12(19)14-10(6)18)11-9(17)8(16)7(26-11)3-25-28(23,24)4-27(20,21)22/h2,7-9,11,16-17H,1,3-4H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t7-,8-,9-,11-/m1/s1
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424n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523543
PNG
(CHEMBL4436640)
Show SMILES Nc1nc(=O)n(cc1I)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16IN3O10P2/c11-4-1-14(10(17)13-8(4)12)9-7(16)6(15)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,15-16H,2-3H2,(H,21,22)(H2,12,13,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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502n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523508
PNG
(CHEMBL4543740)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H18N2O10P2/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(23-9)4-22-25(20,21)5-24(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
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639n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523522
PNG
(CHEMBL4587157)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C17H23N3O10P2/c21-13-8-16(30-14(13)10-29-32(26,27)11-31(23,24)25)20-7-6-15(18-17(20)22)19-28-9-12-4-2-1-3-5-12/h1-7,13-14,16,21H,8-11H2,(H,26,27)(H,18,19,22)(H2,23,24,25)/t13-,14+,16+/m0/s1
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780n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50496771
PNG
(CHEMBL3220831)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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898n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523517
PNG
(CHEMBL4449088)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CCP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O11P2/c1-6-4-14(12(18)13-10(6)17)11-9(16)8(15)7(25-11)5-24-27(22,23)3-2-26(19,20)21/h4,7-9,11,15-16H,2-3,5H2,1H3,(H,22,23)(H,13,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523518
PNG
(CHEMBL1198696)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523516
PNG
(CHEMBL4558180)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8+,9-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523513
PNG
(CHEMBL4442307)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O9P2/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(22-9)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,14H,3-5H2,(H,19,20)(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523512
PNG
(CHEMBL4463295)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1F)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15FN2O10P2/c11-7-8(15)5(3-22-25(20,21)4-24(17,18)19)23-9(7)13-2-1-6(14)12-10(13)16/h1-2,5,7-9,15H,3-4H2,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523507
PNG
(CHEMBL4472287)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H18N4O9P2/c13-6-1-2-14-11-8(6)15-4-16(11)12-10(18)9(17)7(25-12)3-24-27(22,23)5-26(19,20)21/h1-2,4,7,9-10,12,17-18H,3,5H2,(H2,13,14)(H,22,23)(H2,19,20,21)/t7-,9-,10-,12-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523534
PNG
(CHEMBL4468019)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C11H17N5O8P2/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(24-8)2-23-26(21,22)5-25(18,19)20/h3-4,6-8,17H,1-2,5H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523553
PNG
(CHEMBL4516140)
Show SMILES CCCn1c(=O)ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O |r|
Show InChI InChI=1S/C13H22N2O11P2/c1-2-4-14-9(16)3-5-15(13(14)19)12-11(18)10(17)8(26-12)6-25-28(23,24)7-27(20,21)22/h3,5,8,10-12,17-18H,2,4,6-7H2,1H3,(H,23,24)(H2,20,21,22)/t8-,10-,11-,12-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523551
PNG
(CHEMBL4451900)
Show SMILES N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H18N6O8P2/c12-6-8(18)5(1-24-27(22,23)4-26(19,20)21)25-11(6)17-3-16-7-9(13)14-2-15-10(7)17/h2-3,5-6,8,11,18H,1,4,12H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t5-,6-,8-,11-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523549
PNG
(CHEMBL4459165)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1N=[N+]=[N-])n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-14-13-7-8(17)5(3-24-27(22,23)4-26(19,20)21)25-9(7)15-2-1-6(16)12-10(15)18/h1-2,5,7-9,17H,3-4H2,(H,22,23)(H,12,16,18)(H2,19,20,21)/t5-,7-,8-,9-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523548
PNG
(CHEMBL4471653)
Show SMILES [H][C@@]12C[C@]1([C@H](O)[C@H](O)[C@H]2COP(O)(=O)CP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H18N2O10P2/c15-8-1-2-14(11(18)13-8)12-3-7(12)6(9(16)10(12)17)4-24-26(22,23)5-25(19,20)21/h1-2,6-7,9-10,16-17H,3-5H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t6-,7-,9+,10+,12-/m0/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523546
PNG
(CHEMBL4458332)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N3O11P2/c13-5-1-10-12(9(16)11-5)8-7(15)6(14)4(23-8)2-22-25(20,21)3-24(17,18)19/h1,4,6-8,14-15H,2-3H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523544
PNG
(CHEMBL4537717)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H18N2O11P2/c14-7-1-2-13(11(17)12-7)10-9(16)8(15)6(24-10)5-23-26(21,22)4-3-25(18,19)20/h1-2,6,8-10,15-16H,3-5H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523542
PNG
(CHEMBL4476067)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O11P2/c1-6-3-14(12(17)13-10(6)16)11-9(23-2)8(15)7(25-11)4-24-27(21,22)5-26(18,19)20/h3,7-9,11,15H,4-5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,11-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50523540
PNG
(CHEMBL4592397)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ccc(=O)n(Cc2ccccc2)c1=O |r|
Show InChI InChI=1S/C17H22N2O11P2/c20-13-6-7-18(17(23)19(13)8-11-4-2-1-3-5-11)16-15(22)14(21)12(30-16)9-29-32(27,28)10-31(24,25)26/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay 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...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
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