Compile Data Set for Download or QSAR

Found 10 hits of affinity data for UniProtKB/TrEMBL: Q61503   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5'-nucleotidase (Mus musculus)	BDBM50546288 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	198	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/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