Compile Data Set for Download or QSAR

Found 889 hits with Last Name = 'bertucci' and Initial = 'c'   

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))	BDBM50299702 (2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50003879 (CHEMBL1277130) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C22H22N6O5/c1-11(29)13-7-4-12(5-8-13)6-9-14-26-19(23-2)15-20(27-14)28(10-25-15)22-17(31)16(30)18(33-22)21(32)24-3/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,24,32)(H,23,26,27)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299697 (2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299697 (2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299703 (2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299703 (2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299701 (CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299701 (CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205704 (CHEMBL374462 | N6-methoxy-2-[(2-pyridinyl)ethynyl]...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C20H21N7O5/c1-3-21-19(30)16-14(28)15(29)20(32-16)27-10-23-13-17(26-31-2)24-12(25-18(13)27)8-7-11-6-4-5-9-22-11/h4-6,9-10,14-16,20,28-29H,3H2,1-2H3,(H,21,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205707 (CHEMBL223326 | N6-methoxy-2-[2-(1-hydroxycyclohexy...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O Show InChI InChI=1S/C19H25N5O6/c1-29-23-17-14-18(22-13(21-17)7-6-10-4-2-3-5-11(10)26)24(9-20-14)19-16(28)15(27)12(8-25)30-19/h9-12,15-16,19,25-28H,2-5,8H2,1H3,(H,21,22,23)/t10?,11?,12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205717 ((2S,3S,4R)-3,4-dihydroxy-5-((S)-2-iodo-6-methoxyam...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12 Show InChI InChI=1S/C12H15IN6O5/c1-14-10(22)7-5(20)6(21)11(24-7)19-3-15-4-8(18-23-2)16-12(13)17-9(4)19/h3,5-7,11,20-21H,1-2H3,(H,14,22)(H,16,17,18)/t5-,6+,7-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206578 (CHEMBL222301 | cis-((+/-)-Methyl(1R,2S/1S,2R)-2-[(...) Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting				J Med Chem 53: 5881-5 (2010) Article DOI: 10.1021/jm100116p BindingDB Entry DOI: 10.7270/Q20K28SV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205722 ((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205710 ((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205710 ((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205722 ((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205710 ((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324628 ((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...) Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting				J Med Chem 53: 5881-5 (2010) Article DOI: 10.1021/jm100116p BindingDB Entry DOI: 10.7270/Q20K28SV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205722 ((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205697 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccn1 Show InChI InChI=1S/C18H18N6O5/c1-28-23-16-13-17(22-12(21-16)6-5-10-4-2-3-7-19-10)24(9-20-13)18-15(27)14(26)11(8-25)29-18/h2-4,7,9,11,14-15,18,25-27H,8H2,1H3,(H,21,22,23)/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50009263 ((2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9...) Show SMILES CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against Human recombinant Adenosine A3 receptor stably transfected in CHO cells using [3H]NECA as radioligand				J Med Chem 45: 3271-9 (2002) BindingDB Entry DOI: 10.7270/Q2XW4KJP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299700 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205714 (2-[(4-acetylphenyl)ethynyl]-N6-methoxy-5'-N-methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O Show InChI InChI=1S/C22H22N6O6/c1-11(29)13-7-4-12(5-8-13)6-9-14-25-19(27-33-3)15-20(26-14)28(10-24-15)22-17(31)16(30)18(34-22)21(32)23-2/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,23,32)(H,25,26,27)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205714 (2-[(4-acetylphenyl)ethynyl]-N6-methoxy-5'-N-methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O Show InChI InChI=1S/C22H22N6O6/c1-11(29)13-7-4-12(5-8-13)6-9-14-25-19(27-33-3)15-20(26-14)28(10-24-15)22-17(31)16(30)18(34-22)21(32)23-2/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,23,32)(H,25,26,27)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205719 (2-(hex-1-ynyl)-N6-methoxyadenosine | CHEMBL220889) Show SMILES CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C17H23N5O5/c1-3-4-5-6-7-11-19-15(21-26-2)12-16(20-11)22(9-18-12)17-14(25)13(24)10(8-23)27-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,19,20,21)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205699 ((2S,3S,4R)-3,4-dihydroxy-5-((S)-2-iodo-6-methoxyam...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12 Show InChI InChI=1S/C13H17IN6O5/c1-3-15-11(23)8-6(21)7(22)12(25-8)20-4-16-5-9(19-24-2)17-13(14)18-10(5)20/h4,6-8,12,21-22H,3H2,1-2H3,(H,15,23)(H,17,18,19)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50369691 (CHEMBL4175366) Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205702 (2-[(4-acetylphenyl)ethynyl]-N6-methoxyadenosine | ...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(C)=O Show InChI InChI=1S/C21H21N5O6/c1-11(28)13-6-3-12(4-7-13)5-8-15-23-19(25-31-2)16-20(24-15)26(10-22-16)21-18(30)17(29)14(9-27)32-21/h3-4,6-7,10,14,17-18,21,27,29-30H,9H2,1-2H3,(H,23,24,25)/t14-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50369706 (CHEMBL4165013) Show SMILES Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205720 (2-[(4-fuorophenyl)ethynyl]-N6-methoxy-5'-N-ethylca...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN6O5/c1-3-23-20(31)17-15(29)16(30)21(33-17)28-10-24-14-18(27-32-2)25-13(26-19(14)28)9-6-11-4-7-12(22)8-5-11/h4-5,7-8,10,15-17,21,29-30H,3H2,1-2H3,(H,23,31)(H,25,26,27)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205713 (CHEMBL223456 | N6-methoxy-2-[(4-methylphenyl)ethyn...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1 Show InChI InChI=1S/C21H22N6O5/c1-11-4-6-12(7-5-11)8-9-13-24-18(26-31-3)14-19(25-13)27(10-23-14)21-16(29)15(28)17(32-21)20(30)22-2/h4-7,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299698 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299698 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205698 (CHEMBL374242 | N6-methoxy-2-phenylethynyl-5'-N-eth...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-3-22-20(30)17-15(28)16(29)21(32-17)27-11-23-14-18(26-31-2)24-13(25-19(14)27)10-9-12-7-5-4-6-8-12/h4-8,11,15-17,21,28-29H,3H2,1-2H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50168108 (CHEMBL3799351) Show SMILES COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1 Show InChI InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Bioorg Med Chem 24: 2794-808 (2016) Article DOI: 10.1016/j.bmc.2016.04.048 BindingDB Entry DOI: 10.7270/Q23X88JC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50494431 (CHEMBL3087715) Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccco1 Show InChI InChI=1S/C11H11N5O/c1-2-16-10(7-4-3-5-17-7)15-8-9(12)13-6-14-11(8)16/h3-6H,2H2,1H3,(H2,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				Eur J Med Chem 70: 525-35 (2013) Article DOI: 10.1016/j.ejmech.2013.10.006 BindingDB Entry DOI: 10.7270/Q2S185F1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205726 (2-{[4-(cyanomethyl)phenyl]ethynyl}-N6-methoxyadeno...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(CC#N)cc1 Show InChI InChI=1S/C21H20N6O5/c1-31-26-19-16-20(27(11-23-16)21-18(30)17(29)14(10-28)32-21)25-15(24-19)7-6-12-2-4-13(5-3-12)8-9-22/h2-5,11,14,17-18,21,28-30H,8,10H2,1H3,(H,24,25,26)/t14-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299699 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205701 (CHEMBL441707 | N6-methoxy-2-phenylethynyladenosine) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15+,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50369705 (CHEMBL4167491) Show SMILES CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C18H21N5/c1-2-23-17(13-8-4-3-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299699 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205718 (2-[(4-acetylphenyl)ethynyl]-N6-methoxy-5'-N-ethylc...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O Show InChI InChI=1S/C23H24N6O6/c1-4-24-22(33)19-17(31)18(32)23(35-19)29-11-25-16-20(28-34-3)26-15(27-21(16)29)10-7-13-5-8-14(9-6-13)12(2)30/h5-6,8-9,11,17-19,23,31-32H,4H2,1-3H3,(H,24,33)(H,26,27,28)/t17-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 17: 2812-22 (2009) Article DOI: 10.1016/j.bmc.2009.02.030 BindingDB Entry DOI: 10.7270/Q25Q4X1J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205730 (2-(5-cyano-1-pent-1-ynyl)-N6-methoxyadenosine | CH...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC#N Show InChI InChI=1S/C17H20N6O5/c1-27-22-15-12-16(21-11(20-15)6-4-2-3-5-7-18)23(9-19-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-26H,2-3,5,8H2,1H3,(H,20,21,22)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205711 (CHEMBL220158 | N6-methoxy-2-[(4-methoxyphenyl)ethy...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(OC)cc1 Show InChI InChI=1S/C20H21N5O6/c1-29-12-6-3-11(4-7-12)5-8-14-22-18(24-30-2)15-19(23-14)25(10-21-15)20-17(28)16(27)13(9-26)31-20/h3-4,6-7,10,13,16-17,20,26-28H,9H2,1-2H3,(H,22,23,24)/t13-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205700 (2-[(4-fluorophenyl)ethynyl]-N6-methoxyadenosine | ...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C19H18FN5O5/c1-29-24-17-14-18(23-13(22-17)7-4-10-2-5-11(20)6-3-10)25(9-21-14)19-16(28)15(27)12(8-26)30-19/h2-3,5-6,9,12,15-16,19,26-28H,8H2,1H3,(H,22,23,24)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair

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