Compile Data Set for Download or QSAR

Found 8744 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3'   

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))	BDBM198126 ((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...) Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106372 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H19FN6O/c23-17-12-5-4-9-16(17)13-29-21-18(27-28-29)20(26-22(30)15-10-6-11-15)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,15H,6,10-11,13H2,(H,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM86761 (CAS_35920-39-9 | NECA | NSC_448222) Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	73	-40.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106376 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccoc3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H15FN6O2/c23-17-9-5-4-8-15(17)12-29-21-18(27-28-29)20(26-22(30)16-10-11-31-13-16)24-19(25-21)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106373 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H21FN6O/c24-18-13-7-6-12-17(18)14-30-22-19(28-29-30)21(27-23(31)16-10-4-5-11-16)25-20(26-22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,25,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106375 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccco3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H15FN6O2/c23-16-10-5-4-9-15(16)13-29-21-18(27-28-29)20(26-22(30)17-11-6-12-31-17)24-19(25-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106371 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H17FN6O/c22-16-9-5-4-8-15(16)12-28-20-17(26-27-28)19(25-21(29)14-10-11-14)23-18(24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM106374 (N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...) Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C24H23FN6O/c25-19-14-8-7-13-18(19)15-31-23-20(29-30-31)22(28-24(32)17-11-5-2-6-12-17)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,26,27,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Universit£ di Pisa					Assay Description For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...				Chem Biol Drug Des 82: 22-38 (2013) Article DOI: 10.1111/cbdd.12131 BindingDB Entry DOI: 10.7270/Q2445K4Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) Show SMILES CC(C)COc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) Show SMILES CCCOc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM198129 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (6)) Show SMILES Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C18H17N3OS/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM214690 (US9295672, (R)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	25
Ambit Biosciences Corporation US Patent					Assay Description .(R)- and (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol was tested in a radioligand binding assay, according to th...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM214690 (US9295672, (R)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	28.5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Corporation US Patent					Assay Description .(R)- and (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol was tested in a radioligand binding assay, according to th...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM214689 (US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.42	n/a	n/a	n/a	7.4	25
Ambit Biosciences Corporation US Patent					Assay Description .(R)- and (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol was tested in a radioligand binding assay, according to th...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM214689 (US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	7.4	25
Ambit Biosciences Corporation US Patent					Assay Description .(R)- and (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol was tested in a radioligand binding assay, according to th...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191046 (US9181253, 109) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H18ClN5O2/c16-14-19-12(18-7-2-1-3-7)10-13(20-14)21(6-17-10)15-4-8(15)11(23)9(22)5-15/h6-9,11,22-23H,1-5H2,(H,18,19,20)/t8-,9-,11+,15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.90	-47.0	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191068 (US9181253, 115) Show SMILES CCNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C13H16ClN5O2/c1-2-15-10-8-11(18-12(14)17-10)19(5-16-8)13-3-6(13)9(21)7(20)4-13/h5-7,9,20-21H,2-4H2,1H3,(H,15,17,18)/t6-,7-,9+,13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.60	-46.7	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191057 (US9181253, 119) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H18ClN5O2/c16-14-19-12(17-5-7-1-2-7)10-13(20-14)21(6-18-10)15-3-8(15)11(23)9(22)4-15/h6-9,11,22-23H,1-5H2,(H,17,19,20)/t8-,9-,11+,15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.90	-46.0	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191061 (US9181253, 123) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3OCCF)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H21ClFN5O3/c21-19-25-17(23-9-11-3-1-2-4-14(11)30-6-5-22)15-18(26-19)27(10-24-15)20-7-12(20)16(29)13(28)8-20/h1-4,10,12-13,16,28-29H,5-9H2,(H,23,25,26)/t12-,13-,16+,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.3	-45.6	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191055 (US9181253, 117) Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C14H18ClN5O2/c1-6(2)17-11-9-12(19-13(15)18-11)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,3-4H2,1-2H3,(H,17,18,19)/t7-,8-,10+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191045 (US9181253, 108) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H16ClN5O2/c15-13-18-11(17-6-1-2-6)9-12(19-13)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,1-4H2,(H,17,18,19)/t7-,8-,10+,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.1	-45.2	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191062 (US9181253, 124) Show SMILES CCOc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C20H22ClN5O3/c1-2-29-14-6-4-3-5-11(14)9-22-17-15-18(25-19(21)24-17)26(10-23-15)20-7-12(20)16(28)13(27)8-20/h3-6,10,12-13,16,27-28H,2,7-9H2,1H3,(H,22,24,25)/t12-,13-,16+,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.2	-44.6	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191064 (US9181253, 126) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H16ClF2N5O2/c19-17-24-15(22-6-8-3-9(20)1-2-11(8)21)13-16(25-17)26(7-23-13)18-4-10(18)14(28)12(27)5-18/h1-3,7,10,12,14,27-28H,4-6H2,(H,22,24,25)/t10-,12-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16.5	-44.4	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191069 (US9181253, 116) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCCF)nc(Cl)nc12 |r| Show InChI InChI=1S/C13H15ClFN5O2/c14-12-18-10(16-2-1-15)8-11(19-12)20(5-17-8)13-3-6(13)9(22)7(21)4-13/h5-7,9,21-22H,1-4H2,(H,16,18,19)/t6-,7-,9+,13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32.4	-42.7	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191066 (US9181253, 128) Show SMILES OCc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C19H18ClF2N5O3/c20-18-25-16(23-5-8-1-11(21)12(22)2-9(8)6-28)14-17(26-18)27(7-24-14)19-3-10(19)15(30)13(29)4-19/h1-2,7,10,13,15,28-30H,3-6H2,(H,23,25,26)/t10-,13-,15+,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	40.4	-42.2	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191060 (US9181253, 122) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClFN5O2/c19-17-23-15(21-7-9-3-1-2-4-11(9)20)13-16(24-17)25(8-22-13)18-5-10(18)14(27)12(26)6-18/h1-4,8,10,12,14,26-27H,5-7H2,(H,21,23,24)/t10-,12-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	41.5	-42.1	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191056 (US9181253, 118) Show SMILES CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C16H22ClN5O2/c1-3-8(4-2)19-13-11-14(21-15(17)20-13)22(7-18-11)16-5-9(16)12(24)10(23)6-16/h7-10,12,23-24H,3-6H2,1-2H3,(H,19,20,21)/t9-,10-,12+,16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	52	-41.6	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191065 (US9181253, 127) Show SMILES OCc1ccc(F)c(F)c1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C19H18ClF2N5O3/c20-18-25-16(23-5-9-8(6-28)1-2-11(21)13(9)22)14-17(26-18)27(7-24-14)19-3-10(19)15(30)12(29)4-19/h1-2,7,10,12,15,28-30H,3-6H2,(H,23,25,26)/t10-,12-,15+,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	83.2	-40.4	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191058 (US9181253, 120c) Show SMILES CC(Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2)C1CC1 |r| Show InChI InChI=1S/C16H20ClN5O2/c1-7(8-2-3-8)19-13-11-14(21-15(17)20-13)22(6-18-11)16-4-9(16)12(24)10(23)5-16/h6-10,12,23-24H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10-,12+,16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	110	-39.7	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191063 (US9181253, 125) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H21ClFN5O3/c21-19-25-17(23-9-11-2-1-3-12(6-11)30-5-4-22)15-18(26-19)27(10-24-15)20-7-13(20)16(29)14(28)8-20/h1-3,6,10,13-14,16,28-29H,4-5,7-9H2,(H,23,25,26)/t13-,14-,16+,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	114	-39.6	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191067 (US9181253, 107) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 |r| Show InChI InChI=1S/C11H12ClN5O2/c12-10-15-8(13)6-9(16-10)17(3-14-6)11-1-4(11)7(19)5(18)2-11/h3-5,7,18-19H,1-2H2,(H2,13,15,16)/t4-,5-,7+,11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191054 (US9181253, 114) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,THB:13:14:18.17:20| Show InChI InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	236	-37.8	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191053 (US9181253, 113) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20| Show InChI InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	315	-37.1	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191059 (US9181253, 121) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H22ClN5O2/c19-17-22-15(21-12(8-1-2-8)9-3-4-9)13-16(23-17)24(7-20-13)18-5-10(18)14(26)11(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t10-,11-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191050 (US9181253, 110) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C17H22ClN5O2/c18-16-21-14(20-9-4-2-1-3-5-9)12-15(22-16)23(8-19-12)17-6-10(17)13(25)11(24)7-17/h8-11,13,24-25H,1-7H2,(H,20,21,22)/t10-,11-,13+,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	500	-36.0	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191051 (US9181253, 111) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H24ClN5O2/c19-17-22-15(21-10-5-3-1-2-4-6-10)13-16(23-17)24(9-20-13)18-7-11(18)14(26)12(25)8-18/h9-12,14,25-26H,1-8H2,(H,21,22,23)/t11-,12-,14+,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	560	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM191052 (US9181253, 112) Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O2/c20-18-23-16(22-11-6-4-2-1-3-5-7-11)14-17(24-18)25(10-21-14)19-8-12(19)15(27)13(26)9-19/h10-13,15,26-27H,1-9H2,(H,22,23,24)/t12-,13-,15+,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.53E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.5	25
The United States of America, as represented by the Secretary, Department of Health and Human Services US Patent					Assay Description Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...				US Patent US9181253 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GJ4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224619 (US9326978, 32) Show SMILES COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	410	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224617 (US9326978, 30) Show SMILES C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	786	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224618 (US9326978, 31) Show SMILES Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224621 (US9326978, 34) Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224620 (US9326978, 33 | US9326978, 49) Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM224620 (US9326978, 33 | US9326978, 49) Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden US Patent					Assay Description Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...				US Patent US9326978 (2016) BindingDB Entry DOI: 10.7270/Q2C24V85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50059414 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1 Show InChI InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,35H,3,20H2,1-2H3/b31-28-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50343133 (1-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)N[n+]1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-24-10-11-13(21-24)19-16(20-17(27)23-25-7-3-2-4-8-25)26-15(11)18-14(22-26)12-6-5-9-28-12/h2-10H,1H3,(H-,19,20,21,23,27)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117109 (1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells				J Med Chem 49: 1720-9 (2006) Article DOI: 10.1021/jm051147+ BindingDB Entry DOI: 10.7270/Q26974CT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 8744 total )  |  Next  |  Last  >>

Jump to: