Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50000352   

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 A1 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247457 (CHEMBL4079464) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18ClN5O4/c15-3-8-10(21)11(22)14(24-8)20-6-18-9-12(16-5-17-13(9)20)19-7-1-2-23-4-7/h5-8,10-11,14,21-22H,1-4H2,(H,16,17,19)/t7-,8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247449 (CHEMBL4068787) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H28ClN7O3/c1-10-5-11(2)30(28-10)8-15-17(31)18(32)21(33-15)29-9-24-16-19(26-22(23)27-20(16)29)25-14-7-12-3-4-13(14)6-12/h5,9,12-15,17-18,21,31-32H,3-4,6-8H2,1-2H3,(H,25,26,27)/t12?,13?,14?,15-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247456 (CHEMBL4079314) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C28H35N7O3/c1-15-9-16(2)11-19(10-15)25-31-26(30-20-7-5-6-8-20)22-27(32-25)34(14-29-22)28-24(37)23(36)21(38-28)13-35-18(4)12-17(3)33-35/h9-12,14,20-21,23-24,28,36-37H,5-8,13H2,1-4H3,(H,30,31,32)/t21-,23-,24-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247452 (CHEMBL4080383) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13Cl3FN5O3/c17-4-9-11(26)12(27)15(28-9)25-5-21-10-13(23-16(19)24-14(10)25)22-8-2-1-6(18)3-7(8)20/h1-3,5,9,11-12,15,26-27H,4H2,(H,22,23,24)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247454 (CHEMBL4088238) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C20H26ClN7O3/c1-10-7-11(2)28(26-10)8-13-15(29)16(30)19(31-13)27-9-22-14-17(23-12-5-3-4-6-12)24-20(21)25-18(14)27/h7,9,12-13,15-16,19,29-30H,3-6,8H2,1-2H3,(H,23,24,25)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247444 (CHEMBL4087198) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C27H33N7O4/c1-14-7-15(2)9-18(8-14)24-30-25(29-19-5-6-37-12-19)21-26(31-24)33(13-28-21)27-23(36)22(35)20(38-27)11-34-17(4)10-16(3)32-34/h7-10,13,19-20,22-23,27,35-36H,5-6,11-12H2,1-4H3,(H,29,30,31)/t19-,20-,22-,23-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247450 (CHEMBL4095344) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)ncnc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H29N7O3/c1-11-5-12(2)29(27-11)8-16-18(30)19(31)22(32-16)28-10-25-17-20(23-9-24-21(17)28)26-15-7-13-3-4-14(15)6-13/h5,9-10,13-16,18-19,22,30-31H,3-4,6-8H2,1-2H3,(H,23,24,26)/t13?,14?,15?,16-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247445 (CHEMBL4097343) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(nc23)-c2cc(C)cc(C)c2)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C30H37N7O3/c1-15-7-16(2)9-21(8-15)27-33-28(32-22-12-19-5-6-20(22)11-19)24-29(34-27)36(14-31-24)30-26(39)25(38)23(40-30)13-37-18(4)10-17(3)35-37/h7-10,14,19-20,22-23,25-26,30,38-39H,5-6,11-13H2,1-4H3,(H,32,33,34)/t19?,20?,22?,23-,25-,26-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247443 (CHEMBL4105044) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C29H29ClFN7O3/c1-14-7-15(2)9-18(8-14)26-34-27(33-21-6-5-19(30)11-20(21)31)23-28(35-26)37(13-32-23)29-25(40)24(39)22(41-29)12-38-17(4)10-16(3)36-38/h5-11,13,22,24-25,29,39-40H,12H2,1-4H3,(H,33,34,35)/t22-,24-,25-,29-/m1/s1	PDB 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	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247451 (CHEMBL4059994) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)ncnc23)n1 |r| Show InChI InChI=1S/C20H27N7O3/c1-11-7-12(2)27(25-11)8-14-16(28)17(29)20(30-14)26-10-23-15-18(21-9-22-19(15)26)24-13-5-3-4-6-13/h7,9-10,13-14,16-17,20,28-29H,3-6,8H2,1-2H3,(H,21,22,24)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	115	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	136	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247446 (CHEMBL4078360) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C21H20Cl2FN7O3/c1-9-5-10(2)31(29-9)7-14-16(32)17(33)20(34-14)30-8-25-15-18(27-21(23)28-19(15)30)26-13-4-3-11(22)6-12(13)24/h3-6,8,14,16-17,20,32-33H,7H2,1-2H3,(H,26,27,28)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	139	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247446 (CHEMBL4078360) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C21H20Cl2FN7O3/c1-9-5-10(2)31(29-9)7-14-16(32)17(33)20(34-14)30-8-25-15-18(27-21(23)28-19(15)30)26-13-4-3-11(22)6-12(13)24/h3-6,8,14,16-17,20,32-33H,7H2,1-2H3,(H,26,27,28)/t14-,16-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	139	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247447 (CHEMBL4102630) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)ncnc23)n1 |r| Show InChI InChI=1S/C21H21ClFN7O3/c1-10-5-11(2)30(28-10)7-15-17(31)18(32)21(33-15)29-9-26-16-19(24-8-25-20(16)29)27-14-4-3-12(22)6-13(14)23/h3-6,8-9,15,17-18,21,31-32H,7H2,1-2H3,(H,24,25,27)/t15-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	158	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247452 (CHEMBL4080383) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13Cl3FN5O3/c17-4-9-11(26)12(27)15(28-9)25-5-21-10-13(23-16(19)24-14(10)25)22-8-2-1-6(18)3-7(8)20/h1-3,5,9,11-12,15,26-27H,4H2,(H,22,23,24)/t9-,11-,12-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	232	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247454 (CHEMBL4088238) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C20H26ClN7O3/c1-10-7-11(2)28(26-10)8-13-15(29)16(30)19(31-13)27-9-22-14-17(23-12-5-3-4-6-12)24-20(21)25-18(14)27/h7,9,12-13,15-16,19,29-30H,3-6,8H2,1-2H3,(H,23,24,25)/t13-,15-,16-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	343	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247458 (CHEMBL4067452) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C19H24ClN7O4/c1-9-5-10(2)27(25-9)6-12-14(28)15(29)18(31-12)26-8-21-13-16(22-11-3-4-30-7-11)23-19(20)24-17(13)26/h5,8,11-12,14-15,18,28-29H,3-4,6-7H2,1-2H3,(H,22,23,24)/t11-,12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	438	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50247448 (CHEMBL4094884) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)ncnc23)n1 |r| Show InChI InChI=1S/C19H25N7O4/c1-10-5-11(2)26(24-10)6-13-15(27)16(28)19(30-13)25-9-22-14-17(20-8-21-18(14)25)23-12-3-4-29-7-12/h5,8-9,12-13,15-16,19,27-28H,3-4,6-7H2,1-2H3,(H,20,21,23)/t12-,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	491	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 expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247456 (CHEMBL4079314) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C28H35N7O3/c1-15-9-16(2)11-19(10-15)25-31-26(30-20-7-5-6-8-20)22-27(32-25)34(14-29-22)28-24(37)23(36)21(38-28)13-35-18(4)12-17(3)33-35/h9-12,14,20-21,23-24,28,36-37H,5-8,13H2,1-4H3,(H,30,31,32)/t21-,23-,24-,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	562	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247443 (CHEMBL4105044) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C29H29ClFN7O3/c1-14-7-15(2)9-18(8-14)26-34-27(33-21-6-5-19(30)11-20(21)31)23-28(35-26)37(13-32-23)29-25(40)24(39)22(41-29)12-38-17(4)10-16(3)36-38/h5-11,13,22,24-25,29,39-40H,12H2,1-4H3,(H,33,34,35)/t22-,24-,25-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	636	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247445 (CHEMBL4097343) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(nc23)-c2cc(C)cc(C)c2)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C30H37N7O3/c1-15-7-16(2)9-21(8-15)27-33-28(32-22-12-19-5-6-20(22)11-19)24-29(34-27)36(14-31-24)30-26(39)25(38)23(40-30)13-37-18(4)10-17(3)35-37/h7-10,14,19-20,22-23,25-26,30,38-39H,5-6,11-13H2,1-4H3,(H,32,33,34)/t19?,20?,22?,23-,25-,26-,30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	667	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247458 (CHEMBL4067452) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C19H24ClN7O4/c1-9-5-10(2)27(25-9)6-12-14(28)15(29)18(31-12)26-8-21-13-16(22-11-3-4-30-7-11)23-19(20)24-17(13)26/h5,8,11-12,14-15,18,28-29H,3-4,6-7H2,1-2H3,(H,22,23,24)/t11-,12-,14-,15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	996	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247444 (CHEMBL4087198) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C27H33N7O4/c1-14-7-15(2)9-18(8-14)24-30-25(29-19-5-6-37-12-19)21-26(31-24)33(13-28-21)27-23(36)22(35)20(38-27)11-34-17(4)10-16(3)32-34/h7-10,13,19-20,22-23,27,35-36H,5-6,11-12H2,1-4H3,(H,29,30,31)/t19-,20-,22-,23-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247457 (CHEMBL4079464) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18ClN5O4/c15-3-8-10(21)11(22)14(24-8)20-6-18-9-12(16-5-17-13(9)20)19-7-1-2-23-4-7/h5-8,10-11,14,21-22H,1-4H2,(H,16,17,19)/t7-,8-,10-,11-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247455 (CHEMBL4098408) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C16H14Cl2FN5O3/c17-4-10-12(25)13(26)16(27-10)24-6-22-11-14(20-5-21-15(11)24)23-9-2-1-7(18)3-8(9)19/h1-3,5-6,10,12-13,16,25-26H,4H2,(H,20,21,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247449 (CHEMBL4068787) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H28ClN7O3/c1-10-5-11(2)30(28-10)8-15-17(31)18(32)21(33-15)29-9-24-16-19(26-22(23)27-20(16)29)25-14-7-12-3-4-13(14)6-12/h5,9,12-15,17-18,21,31-32H,3-4,6-8H2,1-2H3,(H,25,26,27)/t12?,13?,14?,15-,17-,18-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247452 (CHEMBL4080383) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13Cl3FN5O3/c17-4-9-11(26)12(27)15(28-9)25-5-21-10-13(23-16(19)24-14(10)25)22-8-2-1-6(18)3-7(8)20/h1-3,5,9,11-12,15,26-27H,4H2,(H,22,23,24)/t9-,11-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.96E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247447 (CHEMBL4102630) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)ncnc23)n1 |r| Show InChI InChI=1S/C21H21ClFN7O3/c1-10-5-11(2)30(28-10)7-15-17(31)18(32)21(33-15)29-9-26-16-19(24-8-25-20(16)29)27-14-4-3-12(22)6-13(14)23/h3-6,8-9,15,17-18,21,31-32H,7H2,1-2H3,(H,24,25,27)/t15-,17-,18-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247443 (CHEMBL4105044) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C29H29ClFN7O3/c1-14-7-15(2)9-18(8-14)26-34-27(33-21-6-5-19(30)11-20(21)31)23-28(35-26)37(13-32-23)29-25(40)24(39)22(41-29)12-38-17(4)10-16(3)36-38/h5-11,13,22,24-25,29,39-40H,12H2,1-4H3,(H,33,34,35)/t22-,24-,25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.32E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247444 (CHEMBL4087198) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C27H33N7O4/c1-14-7-15(2)9-18(8-14)24-30-25(29-19-5-6-37-12-19)21-26(31-24)33(13-28-21)27-23(36)22(35)20(38-27)11-34-17(4)10-16(3)32-34/h7-10,13,19-20,22-23,27,35-36H,5-6,11-12H2,1-4H3,(H,29,30,31)/t19-,20-,22-,23-,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.09E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247448 (CHEMBL4094884) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)ncnc23)n1 |r| Show InChI InChI=1S/C19H25N7O4/c1-10-5-11(2)26(24-10)6-13-15(27)16(28)19(30-13)25-9-22-14-17(20-8-21-18(14)25)23-12-3-4-29-7-12/h5,8-9,12-13,15-16,19,27-28H,3-4,6-7H2,1-2H3,(H,20,21,23)/t12-,13-,15-,16-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.28E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247450 (CHEMBL4095344) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)ncnc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H29N7O3/c1-11-5-12(2)29(27-11)8-16-18(30)19(31)22(32-16)28-10-25-17-20(23-9-24-21(17)28)26-15-7-13-3-4-14(15)6-13/h5,9-10,13-16,18-19,22,30-31H,3-4,6-8H2,1-2H3,(H,23,24,26)/t13?,14?,15?,16-,18-,19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.45E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247451 (CHEMBL4059994) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)ncnc23)n1 |r| Show InChI InChI=1S/C20H27N7O3/c1-11-7-12(2)27(25-11)8-14-16(28)17(29)20(30-14)26-10-23-15-18(21-9-22-19(15)26)24-13-5-3-4-6-13/h7,9-10,13-14,16-17,20,28-29H,3-6,8H2,1-2H3,(H,21,22,24)/t14-,16-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.64E+3	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]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247456 (CHEMBL4079314) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(nc23)-c2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C28H35N7O3/c1-15-9-16(2)11-19(10-15)25-31-26(30-20-7-5-6-8-20)22-27(32-25)34(14-29-22)28-24(37)23(36)21(38-28)13-35-18(4)12-17(3)33-35/h9-12,14,20-21,23-24,28,36-37H,5-8,13H2,1-4H3,(H,30,31,32)/t21-,23-,24-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.87E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247447 (CHEMBL4102630) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)ncnc23)n1 |r| Show InChI InChI=1S/C21H21ClFN7O3/c1-10-5-11(2)30(28-10)7-15-17(31)18(32)21(33-15)29-9-26-16-19(24-8-25-20(16)29)27-14-4-3-12(22)6-13(14)23/h3-6,8-9,15,17-18,21,31-32H,7H2,1-2H3,(H,24,25,27)/t15-,17-,18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.83E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247453 (CHEMBL4103712) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C14H17Cl2N5O4/c15-3-7-9(22)10(23)13(25-7)21-5-17-8-11(18-6-1-2-24-4-6)19-14(16)20-12(8)21/h5-7,9-10,13,22-23H,1-4H2,(H,18,19,20)/t6-,7-,9-,10-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.68E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247449 (CHEMBL4068787) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(Cl)nc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H28ClN7O3/c1-10-5-11(2)30(28-10)8-15-17(31)18(32)21(33-15)29-9-24-16-19(26-22(23)27-20(16)29)25-14-7-12-3-4-13(14)6-12/h5,9,12-15,17-18,21,31-32H,3-4,6-8H2,1-2H3,(H,25,26,27)/t12?,13?,14?,15-,17-,18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.43E+3	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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247454 (CHEMBL4088238) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C20H26ClN7O3/c1-10-7-11(2)28(26-10)8-13-15(29)16(30)19(31-13)27-9-22-14-17(23-12-5-3-4-6-12)24-20(21)25-18(14)27/h7,9,12-13,15-16,19,29-30H,3-6,8H2,1-2H3,(H,23,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.02E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247457 (CHEMBL4079464) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18ClN5O4/c15-3-8-10(21)11(22)14(24-8)20-6-18-9-12(16-5-17-13(9)20)19-7-1-2-23-4-7/h5-8,10-11,14,21-22H,1-4H2,(H,16,17,19)/t7-,8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247445 (CHEMBL4097343) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)nc(nc23)-c2cc(C)cc(C)c2)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C30H37N7O3/c1-15-7-16(2)9-21(8-15)27-33-28(32-22-12-19-5-6-20(22)11-19)24-29(34-27)36(14-31-24)30-26(39)25(38)23(40-30)13-37-18(4)10-17(3)35-37/h7-10,14,19-20,22-23,25-26,30,38-39H,5-6,11-13H2,1-4H3,(H,32,33,34)/t19?,20?,22?,23-,25-,26-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247458 (CHEMBL4067452) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C19H24ClN7O4/c1-9-5-10(2)27(25-9)6-12-14(28)15(29)18(31-12)26-8-21-13-16(22-11-3-4-30-7-11)23-19(20)24-17(13)26/h5,8,11-12,14-15,18,28-29H,3-4,6-7H2,1-2H3,(H,22,23,24)/t11-,12-,14-,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.19E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247451 (CHEMBL4059994) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)ncnc23)n1 |r| Show InChI InChI=1S/C20H27N7O3/c1-11-7-12(2)27(25-11)8-14-16(28)17(29)20(30-14)26-10-23-15-18(21-9-22-19(15)26)24-13-5-3-4-6-13/h7,9-10,13-14,16-17,20,28-29H,3-6,8H2,1-2H3,(H,21,22,24)/t14-,16-,17-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.45E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247450 (CHEMBL4095344) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CC5CCC4C5)ncnc23)n1 |r,TLB:19:20:26:23.24| Show InChI InChI=1S/C22H29N7O3/c1-11-5-12(2)29(27-11)8-16-18(30)19(31)22(32-16)28-10-25-17-20(23-9-24-21(17)28)26-15-7-13-3-4-14(15)6-13/h5,9-10,13-16,18-19,22,30-31H,3-4,6-8H2,1-2H3,(H,23,24,26)/t13?,14?,15?,16-,18-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.96E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247448 (CHEMBL4094884) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N[C@@H]4CCOC4)ncnc23)n1 |r| Show InChI InChI=1S/C19H25N7O4/c1-10-5-11(2)26(24-10)6-13-15(27)16(28)19(30-13)25-9-22-14-17(20-8-21-18(14)25)23-12-3-4-29-7-12/h5,8-9,12-13,15-16,19,27-28H,3-4,6-7H2,1-2H3,(H,20,21,23)/t12-,13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.86E+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]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50247446 (CHEMBL4078360) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C21H20Cl2FN7O3/c1-9-5-10(2)31(29-9)7-14-16(32)17(33)20(34-14)30-8-25-15-18(27-21(23)28-19(15)30)26-13-4-3-11(22)6-12(13)24/h3-6,8,14,16-17,20,32-33H,7H2,1-2H3,(H,26,27,28)/t14-,16-,17-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247446 (CHEMBL4078360) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C21H20Cl2FN7O3/c1-9-5-10(2)31(29-9)7-14-16(32)17(33)20(34-14)30-8-25-15-18(27-21(23)28-19(15)30)26-13-4-3-11(22)6-12(13)24/h3-6,8,14,16-17,20,32-33H,7H2,1-2H3,(H,26,27,28)/t14-,16-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenyly...				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50247454 (CHEMBL4088238) Show SMILES Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)nc(Cl)nc23)n1 |r| Show InChI InChI=1S/C20H26ClN7O3/c1-10-7-11(2)28(26-10)8-13-15(29)16(30)19(31-13)27-9-22-14-17(23-12-5-3-4-6-12)24-20(21)25-18(14)27/h7,9,12-13,15-16,19,29-30H,3-6,8H2,1-2H3,(H,23,24,25)/t13-,15-,16-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenyly...				J Med Chem 61: 305-318 (2018) Article DOI: 10.1021/acs.jmedchem.7b01399 BindingDB Entry DOI: 10.7270/Q2R78HNM
					More data for this Ligand-Target Pair

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