Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'chakraborty' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine deaminase (Homo sapiens (Human))	BDBM50367032 (COFORMYCIN) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18| Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of adenosine deaminase				Bioorg Med Chem Lett 22: 7214-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.053 BindingDB Entry DOI: 10.7270/Q2MC916H
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of adenosine deaminase				Bioorg Med Chem Lett 22: 7214-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.053 BindingDB Entry DOI: 10.7270/Q2MC916H
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523511 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580195 (CHEMBL5071286) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(-c3ccoc3)c12)C(=C/OC)\C(=O)OC |r,t:15| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells at 10 uM				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01273 BindingDB Entry DOI: 10.7270/Q25D8WQH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523527 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580194 (CHEMBL5074977) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(C)c12)C(=C/OC)\C(=O)OC |r,t:15| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells at 10 uM				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01273 BindingDB Entry DOI: 10.7270/Q25D8WQH
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523526 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50580193 (CHEMBL5086786) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(c12)-c1ccccc1)C(=C/OC)\C(=O)OC |r,t:15| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells at 10 uM				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01273 BindingDB Entry DOI: 10.7270/Q25D8WQH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523528 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Mu-type opioid receptor (MOUSE)	BDBM50609010 (CHEMBL5276728) Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50609010 (CHEMBL5276728) Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50519927 (CHEMBL4546925) Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50060165 ((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...) Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523528 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50609010 (CHEMBL5276728) Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM200215 (Adenosine receptor agonist, 11) Show SMILES CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[nH]c(=O)n(C)c(=O)c12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50319142 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Mu-type opioid receptor (MOUSE)	BDBM50474151 (CHEMBL292521) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523547 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM200213 (Adenosine receptor agonist, 9) Show SMILES Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523519 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	349	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM200217 (Adenosine receptor agonist, 14) Show SMILES Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1Cl |r| Show InChI InChI=1S/C9H12ClN3O5/c10-4-7(11)12-2-13(8(4)17)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,11H2/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523533 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM82055 (3-DEAZAADENOSINE | 9-Deazaado | Adenosine receptor...) Show SMILES Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	461	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM200213 (Adenosine receptor agonist, 9) Show SMILES Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM200213 (Adenosine receptor agonist, 9) Show SMILES Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523543 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM200217 (Adenosine receptor agonist, 14) Show SMILES Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1Cl |r| Show InChI InChI=1S/C9H12ClN3O5/c10-4-7(11)12-2-13(8(4)17)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,11H2/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	557	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair

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