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Compile Data Set for Download or QSAR

Found 10 hits of affinity data for UniProtKB/TrEMBL: Q61503   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-nucleotidase


(Mus musculus)
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C19H24ClN5O9P2/c1-10(11-5-3-2-4-6-11)22-16-12-7-21-25(17(12)24-19(20)23-16)18-15(27)14(26)13(34-18)8-33-36(31,32)9-35(28,29)30/h2-7,10,13-15,18,26-27H,8-9H2,1H3,(H,31,32)(H,22,23,24)(H2,28,29,30)/t10-,13+,14+,15+,18+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2....


J Med Chem 63: 11448-11468 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50527134
PNG
(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
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n/an/a 0.660n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2....


J Med Chem 63: 11448-11468 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50546280
PNG
(CHEMBL4761506)
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)c1ccc(F)cc1
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(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
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n/an/a 0.830n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2....


J Med Chem 63: 11448-11468 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50561221
PNG
(CHEMBL4745473)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble mouse CD73 incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay


J Med Chem 64: 845-860 (2021)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50561221
PNG
(CHEMBL4745473)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse CD73 expressed in CHO cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay


J Med Chem 64: 845-860 (2021)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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CHEBI
CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
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Patents


Similars

PubMed
n/an/a 40n/an/an/an/an/an/a



Ningxia Medical University

Curated by ChEMBL


Assay Description
Inhibition of mouse CD73


Bioorg Med Chem Lett 34: (2021)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50527134
PNG
(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
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n/an/an/an/a 198n/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and meas...


J Med Chem 63: 10433-10459 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50561206
PNG
(CHEMBL4764985)
Show SMILES COC[C@](CO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O
Show InChI InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and meas...


J Med Chem 63: 10433-10459 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50561238
PNG
(CHEMBL4752114)
Show SMILES C[C@@](CO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O
Show InChI InChI=1S/C18H27ClN5O8P/c1-18(8-25,33(28,29)30)31-7-11-12(26)13(27)16(32-11)24-15-10(6-20-24)14(22-17(19)23-15)21-9-4-2-3-5-9/h6,9,11-13,16,25-27H,2-5,7-8H2,1H3,(H,21,22,23)(H2,28,29,30)/t11-,12-,13-,16-,18-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and meas...


J Med Chem 63: 10433-10459 (2020)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50561236
PNG
(CHEMBL4786598)
Show SMILES OCC(CO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O
Show InChI InChI=1S/C18H27ClN5O9P/c19-17-22-14(21-9-3-1-2-4-9)10-5-20-24(15(10)23-17)16-13(28)12(27)11(33-16)6-32-18(7-25,8-26)34(29,30)31/h5,9,11-13,16,25-28H,1-4,6-8H2,(H,21,22,23)(H2,29,30,31)/t11-,12-,13-,16-/m1/s1
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n/an/an/an/a 46n/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and meas...


J Med Chem 63: 10433-10459 (2020)

More data for this
Ligand-Target Pair