Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50031591   

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))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at high affinity site by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315862 (CHEMBL1090684 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315860 (CHEMBL1090682 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315862 (CHEMBL1090684 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315854 (CHEMBL1090686 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315860 (CHEMBL1090682 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	618	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	651	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315854 (CHEMBL1090686 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at low affinity site by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315864 (2-Amino-6-[3-(4-nitrophenoxy)-propyl]-4,5,6,7-tetr...) Show SMILES Nc1sc2CN(CCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H21Cl2N3O4S/c24-18-7-2-14(12-19(18)25)22(29)21-17-8-10-27(13-20(17)33-23(21)26)9-1-11-32-16-5-3-15(4-6-16)28(30)31/h2-7,12H,1,8-11,13,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315863 (2-Amino-6-[5-(4-nitrophenoxy)-pentyl]-4,5,6,7-tetr...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H25Cl2N3O4S/c26-20-9-4-16(14-21(20)27)24(31)23-19-10-12-29(15-22(19)35-25(23)28)11-2-1-3-13-34-18-7-5-17(6-8-18)30(32)33/h4-9,14H,1-3,10-13,15,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM alloste...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	691	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM alloste...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM alloste...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	955	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	156	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting in presence of 10...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	181	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting in presence of 10...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315865 (2-Amino-6-[2-(4-nitrophenoxy)-ethyl]-4,5,6,7-tetra...) Show SMILES Nc1sc2CN(CCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H19Cl2N3O4S/c23-17-6-1-13(11-18(17)24)21(28)20-16-7-8-26(12-19(16)32-22(20)25)9-10-31-15-4-2-14(3-5-15)27(29)30/h1-6,11H,7-10,12,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	273	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting in presence of 10...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair