Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50020564   

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 receptor A3 (Homo sapiens (Human))	BDBM50215115 (CHEMBL428377 | N6-(3-Iodobenzyl)-2'-O-methyladenos...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215110 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215118 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN5O4/c19-11-3-1-2-10(4-11)5-20-15-12-16(22-8-21-15)24(9-23-12)17-13-14(26)18(6-25,28-17)7-27-13/h1-4,8-9,13-14,17,25-26H,5-7H2,(H,20,21,22)/t13-,14+,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215109 ((1R,3R,4R,7S)-(7-hydroxy-3-(adenin-9-yl)-2-oxa-5-a...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H15N7O3/c1-14-11(21)12-2-15-5(7(12)20)10(22-12)19-4-18-6-8(13)16-3-17-9(6)19/h3-5,7,10,15,20H,2H2,1H3,(H,14,21)(H2,13,16,17)/t5-,7+,10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215116 (CHEMBL393362 | N6-(3-iodobenzyl)-2'-O-methyladenos...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215115 (CHEMBL428377 | N6-(3-Iodobenzyl)-2'-O-methyladenos...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215110 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215117 ((1S,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H13N5O4/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(18)11(1-17,20-10)2-19-6/h3-4,6-7,10,17-18H,1-2H2,(H2,12,13,14)/t6-,7+,10-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215112 ((1R,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H14N6O3/c12-8-6-9(15-3-14-8)17(4-16-6)10-5-7(19)11(2-18,20-10)1-13-5/h3-5,7,10,13,18-19H,1-2H2,(H2,12,14,15)/t5-,7+,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215113 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H19IN6O4/c1-21-18(28)19-7-29-13(14(19)27)17(30-19)26-9-25-12-15(23-8-24-16(12)26)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,13-14,17,27H,6-7H2,1H3,(H,21,28)(H,22,23,24)/t13-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215114 ((1R,3R,4R,7S)-(7-hydroxy-3-(adenin-9-yl)-2,5-dioxa...) Show SMILES CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H14N6O4/c1-14-11(20)12-2-21-6(7(12)19)10(22-12)18-4-17-5-8(13)15-3-16-9(5)18/h3-4,6-7,10,19H,2H2,1H3,(H,14,20)(H2,13,15,16)/t6-,7+,10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215115 (CHEMBL428377 | N6-(3-Iodobenzyl)-2'-O-methyladenos...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215119 (2'-O-methyladenosine-N-methyl-5'-uronamide | CHEMB...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-14-11(20)7-6(19)8(21-2)12(22-7)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19H,1-2H3,(H,14,20)(H2,13,15,16)/t6-,7+,8-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	453	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215117 ((1S,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H13N5O4/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(18)11(1-17,20-10)2-19-6/h3-4,6-7,10,17-18H,1-2H2,(H2,12,13,14)/t6-,7+,10-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215115 (CHEMBL428377 | N6-(3-Iodobenzyl)-2'-O-methyladenos...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-27-15-14(26)12(7-25)28-18(15)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215118 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H18IN5O4/c19-11-3-1-2-10(4-11)5-20-15-12-16(22-8-21-15)24(9-23-12)17-13-14(26)18(6-25,28-17)7-27-13/h1-4,8-9,13-14,17,25-26H,5-7H2,(H,20,21,22)/t13-,14+,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215114 ((1R,3R,4R,7S)-(7-hydroxy-3-(adenin-9-yl)-2,5-dioxa...) Show SMILES CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H14N6O4/c1-14-11(20)12-2-21-6(7(12)19)10(22-12)18-4-17-5-8(13)15-3-16-9(5)18/h3-4,6-7,10,19H,2H2,1H3,(H,14,20)(H2,13,15,16)/t6-,7+,10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215116 (CHEMBL393362 | N6-(3-iodobenzyl)-2'-O-methyladenos...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215111 ((1S,3R,4R,7S)-7-hydroxy-1-hydroxymethyl-3-(N6-(3-i...) Show SMILES OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3/c19-11-3-1-2-10(4-11)5-20-15-13-16(23-8-22-15)25(9-24-13)17-12-14(27)18(7-26,28-17)6-21-12/h1-4,8-9,12,14,17,21,26-27H,5-7H2,(H,20,22,23)/t12-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215109 ((1R,3R,4R,7S)-(7-hydroxy-3-(adenin-9-yl)-2-oxa-5-a...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H15N7O3/c1-14-11(21)12-2-15-5(7(12)20)10(22-12)19-4-18-6-8(13)16-3-17-9(6)19/h3-5,7,10,15,20H,2H2,1H3,(H,14,21)(H2,13,16,17)/t5-,7+,10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215110 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215113 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H19IN6O4/c1-21-18(28)19-7-29-13(14(19)27)17(30-19)26-9-25-12-15(23-8-24-16(12)26)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,13-14,17,27H,6-7H2,1H3,(H,21,28)(H,22,23,24)/t13-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50144945 ((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215112 ((1R,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H14N6O3/c12-8-6-9(15-3-14-8)17(4-16-6)10-5-7(19)11(2-18,20-10)1-13-5/h3-5,7,10,13,18-19H,1-2H2,(H2,12,14,15)/t5-,7+,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50215116 (CHEMBL393362 | N6-(3-iodobenzyl)-2'-O-methyladenos...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215110 ((1R,3R,4R,7S)-(7-hydroxy-3-(N6-(3-iodobenzyl)-aden...) Show SMILES CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C19H20IN7O3/c1-21-18(29)19-7-23-12(14(19)28)17(30-19)27-9-26-13-15(24-8-25-16(13)27)22-6-10-3-2-4-11(20)5-10/h2-5,8-9,12,14,17,23,28H,6-7H2,1H3,(H,21,29)(H,22,24,25)/t12-,14+,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair