Compile Data Set for Download or QSAR

Found 62 hits of ki data for polymerid = 7634   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	-11.2	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))	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	-11.2	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))	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	-11.0	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	-10.9	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	-10.8	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))	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	-10.8	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))	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	-10.7	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))	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	-10.6	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))	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	-10.2	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))	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	-10.1	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))	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	-10.1	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	-9.93	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	-9.65	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	-9.49	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	-9.47	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	-9.26	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	-9.03	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	-8.86	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	-8.63	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	-8.59	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	-8.52	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))	BDBM175399 (1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-o...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	797	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					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	-7.93	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))	BDBM175398 (1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(30-3)15(11-13)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175381 (1,3-Dimethyl-8-[3-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-10-15(22)16(27)12-30-14-9-7-8-13(11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175365 (1,3-Dimethyl-8-[3-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-5-4-6-10(7-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175402 (1,3-Dimethyl-8-[{3-(2-(imidazol-1-yl)-2-oxoethoxy)...) Show SMILES COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C19H20N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(29-3)13(8-11)30-9-14(26)25-7-6-20-10-25/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175372 (1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175380 (1,3-Dimethyl-8-[3-{2-(piperidin-1-yl)]-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1 Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-7-6-8-14(11-13)29-12-15(26)25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175379 (1,3-Dimethyl-8-[3-{2-(pyrrolidin-1-yl)-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1 Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-6-5-7-13(10-12)28-11-14(25)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175384 (1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1 Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175383 (1,3-Dimethyl-8-[3-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H24N6O4/c1-23-7-9-26(10-8-23)15(27)12-30-14-6-4-5-13(11-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175370 (1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175364 (1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]x...) Show SMILES COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175376 (1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC |t:20| Show InChI InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175373 (1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 |c:3| Show InChI InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175382 (1,3-Dimethyl-8-[3-{2-(morpholin-1-yl)-2-oxoethoxy}...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1 Show InChI InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-4-3-5-13(10-12)29-11-14(25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175369 (8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175378 (8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...) Show SMILES CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175377 (1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175397 (1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2...) Show SMILES COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(29-3)14(10-12)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175390 (1,3-Dimethyl-8-[{4-(2-(hexamethyleneimin-1-yl)-2-o...) Show SMILES COc1cc(ccc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(16(12-14)31-3)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175385 (1,3-Dimethyl-8-[3-{2-(homoveratrylamino)-2-oxoetho...) Show SMILES COc1ccc(CCNC(=O)COc2cccc(c2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC Show InChI InChI=1S/C25H27N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-5-7-17(13-16)36-14-20(31)26-11-10-15-8-9-18(34-3)19(12-15)35-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,31)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175389 (1,3-Dimethyl-8-[3-methoxy-4-{2-(piperidin-1-yl)-2-...) Show SMILES COc1cc(ccc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(15(11-13)30-3)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175366 (1,3-Dimethyl-8-[{4-(2-methoxy-2-oxoethoxy)-3-metho...) Show SMILES COC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(11(7-9)25-3)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175386 (1,3-Dimethyl-8-[{4-(2-(dimethylaminoethylamino)-2-...) Show SMILES COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-13-7-6-12(10-14(13)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175401 (1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-...) Show SMILES COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-15-11-13(5-6-14(15)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175374 (1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C |t:19| Show InChI InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175368 (1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175367 (1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-metho...) Show SMILES COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(25-3)11(7-9)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair

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