Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'bedse' and Initial = 'g'   

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))	BDBM50231595 (CHEMBL4092832) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231590 (CHEMBL4063997) Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232062 (CHEMBL4068507) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-9-37-24-22(25(40)38(10-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-13-11-34(12-14-35)20-7-5-19(6-8-20)27(28,29)30/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232060 (CHEMBL4095766) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H30F3N5O4/c1-3-13-35-26-24(27(39)36(14-4-2)28(35)40)33-25(34-26)19-5-11-22(12-6-19)41-17-18-15-23(38)37(16-18)21-9-7-20(8-10-21)29(30,31)32/h5-12,18H,3-4,13-17H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232044 (CHEMBL4083317) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231595 (CHEMBL4092832) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232058 (CHEMBL4092455) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(O)C2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H30F3N7O4/c1-3-8-35-24-22(25(40)36(9-4-2)26(35)41)32-23(33-24)17-12-31-34(13-17)15-20(38)16-10-21(39)37(14-16)19-7-5-6-18(11-19)27(28,29)30/h5-7,11-13,16,20,38H,3-4,8-10,14-15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232078 (CHEMBL4080171) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C26H30ClFN8O3/c1-3-7-35-24-22(25(38)36(8-4-2)26(35)39)30-23(31-24)17-14-29-34(15-17)16-21(37)33-11-9-32(10-12-33)18-5-6-20(28)19(27)13-18/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]ABOPX from human adenosine receptor A2b expressed in HEK293 cell membranes after 3 hrs by fluorescence assay				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231597 (CHEMBL4102409) Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O3/c1-3-11-24-19(25)16-18(22-17(21-16)13-7-4-5-8-13)23-20(24)27-15-10-6-9-14(12-15)26-2/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232089 (CHEMBL4100199) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H30F3N7O3/c1-3-9-35-24-22(25(39)36(10-4-2)26(35)40)32-23(33-24)18-14-31-34(16-18)11-8-17-12-21(38)37(15-17)20-7-5-6-19(13-20)27(28,29)30/h5-7,13-14,16-17H,3-4,8-12,15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232050 (CHEMBL4065717) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)nc1 Show InChI InChI=1S/C28H29F3N6O4/c1-3-11-35-25-23(26(39)36(12-4-2)27(35)40)33-24(34-25)18-5-10-21(32-14-18)41-16-17-13-22(38)37(15-17)20-8-6-19(7-9-20)28(29,30)31/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232086 (CHEMBL4074412) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-9-35-23-21(24(37)36(10-4-2)25(35)38)31-22(32-23)18-13-30-34(16-18)15-17-8-11-33(14-17)20-7-5-6-19(12-20)26(27,28)29/h5-7,12-13,16-17H,3-4,8-11,14-15H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231709 (CHEMBL4083067) Show SMILES CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-10-24-17(25)13-16(22-15(21-13)11-6-3-4-7-11)23-18(24)26-12-8-5-9-20-14(12)19/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232083 (CHEMBL4088043) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(F)cc2)nc1 Show InChI InChI=1S/C27H29FN6O4/c1-3-11-32-25-23(26(36)33(12-4-2)27(32)37)30-24(31-25)18-5-10-21(29-14-18)38-16-17-13-22(35)34(15-17)20-8-6-19(28)7-9-20/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232045 (CHEMBL4065629) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C24H26FN7O3/c1-3-9-31-23(34)20-22(30(4-2)24(31)35)28-21(27-20)16-11-26-29(14-16)12-15-10-19(33)32(13-15)18-7-5-17(25)6-8-18/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232047 (CHEMBL4074253) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C25H26F3N7O3/c1-3-9-34-23(37)20-22(33(4-2)24(34)38)31-21(30-20)16-11-29-32(14-16)12-15-10-19(36)35(13-15)18-7-5-17(6-8-18)25(26,27)28/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232065 (CHEMBL4073346) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)C(C)C1CN(C(=O)C1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N7O3/c1-4-9-34-24-22(25(39)35(10-5-2)26(34)40)32-23(33-24)18-13-31-37(15-18)16(3)17-11-21(38)36(14-17)20-8-6-7-19(12-20)27(28,29)30/h6-8,12-13,15-17H,4-5,9-11,14H2,1-3H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232070 (CHEMBL4091110) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C26H28F3N7O4/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)18-5-7-19(8-6-18)40-26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232049 (CHEMBL4095843) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232059 (CHEMBL4094755) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H26F3N7O3/c1-3-8-34-23(37)20-22(33(4-2)24(34)38)31-21(30-20)16-11-29-32(14-16)12-15-9-19(36)35(13-15)18-7-5-6-17(10-18)25(26,27)28/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232073 (CHEMBL4059759) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2cccc(F)c2)nc1 Show InChI InChI=1S/C27H29FN6O4/c1-3-10-32-25-23(26(36)33(11-4-2)27(32)37)30-24(31-25)18-8-9-21(29-14-18)38-16-17-12-22(35)34(15-17)20-7-5-6-19(28)13-20/h5-9,13-14,17H,3-4,10-12,15-16H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232067 (CHEMBL4064755) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(C)cc2)c1 Show InChI InChI=1S/C27H34N8O3/c1-4-10-34-25-23(26(37)35(11-5-2)27(34)38)29-24(30-25)20-16-28-33(17-20)18-22(36)32-14-12-31(13-15-32)21-8-6-19(3)7-9-21/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232075 (CHEMBL4069458) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H30FN5O4/c1-3-13-32-26-24(27(36)33(14-4-2)28(32)37)30-25(31-26)19-5-11-22(12-6-19)38-17-18-15-23(35)34(16-18)21-9-7-20(29)8-10-21/h5-12,18H,3-4,13-17H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231707 (CHEMBL4085564) Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50229885 (CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine receptor A2b expressed in HEK293 cell membranes				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231707 (CHEMBL4085564) Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231588 (CHEMBL4084453) Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H21F3N4O2/c1-2-10-27-18(28)15-17(25-16(24-15)12-6-3-4-7-12)26-19(27)29-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232076 (CHEMBL4103446) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-9-35-22-20(24(38)36(10-4-2)25(35)39)31-21(32-22)17-13-30-33(15-17)14-16-8-11-34(23(16)37)19-7-5-6-18(12-19)26(27,28)29/h5-7,12-13,15-16H,3-4,8-11,14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232048 (CHEMBL4098127) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2=O)c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C26H28F3N7O4/c1-3-10-35-22-20(24(38)36(11-4-2)25(35)39)31-21(32-22)17-13-30-33(15-17)14-16-9-12-34(23(16)37)18-5-7-19(8-6-18)40-26(27,28)29/h5-8,13,15-16H,3-4,9-12,14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232064 (CHEMBL4099762) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C26H28F3N7O3/c1-3-8-34-23-21(24(38)35(9-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-10-20(37)36(14-16)19-7-5-6-18(11-19)26(27,28)29/h5-7,11-12,15-16H,3-4,8-10,13-14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231590 (CHEMBL4063997) Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232057 (CHEMBL4068421) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H30F3N5O4/c1-3-12-35-26-24(27(39)36(13-4-2)28(35)40)33-25(34-26)19-8-10-22(11-9-19)41-17-18-14-23(38)37(16-18)21-7-5-6-20(15-21)29(30,31)32/h5-11,15,18H,3-4,12-14,16-17H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232055 (CHEMBL4101208) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(C)cc2)c1 Show InChI InChI=1S/C26H31N7O3/c1-4-10-31-24-22(25(35)32(11-5-2)26(31)36)28-23(29-24)19-13-27-30(16-19)14-18-12-21(34)33(15-18)20-8-6-17(3)7-9-20/h6-9,13,16,18H,4-5,10-12,14-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232047 (CHEMBL4074253) Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C25H26F3N7O3/c1-3-9-34-23(37)20-22(33(4-2)24(34)38)31-21(30-20)16-11-29-32(14-16)12-15-10-19(36)35(13-15)18-7-5-17(6-8-18)25(26,27)28/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232056 (CHEMBL4087139) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)nc1 Show InChI InChI=1S/C28H29F3N6O4/c1-3-10-35-25-23(26(39)36(11-4-2)27(35)40)33-24(34-25)18-8-9-21(32-14-18)41-16-17-12-22(38)37(15-17)20-7-5-6-19(13-20)28(29,30)31/h5-9,13-14,17H,3-4,10-12,15-16H2,1-2H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232082 (CHEMBL4061490) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(OC(F)(F)F)c2)c1 Show InChI InChI=1S/C26H28F3N7O4/c1-3-8-34-23-21(24(38)35(9-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-10-20(37)36(14-16)18-6-5-7-19(11-18)40-26(27,28)29/h5-7,11-12,15-16H,3-4,8-10,13-14H2,1-2H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232092 (CHEMBL4090483) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H30FN5O4/c1-3-12-32-26-24(27(36)33(13-4-2)28(32)37)30-25(31-26)19-8-10-22(11-9-19)38-17-18-14-23(35)34(16-18)21-7-5-6-20(29)15-21/h5-11,15,18H,3-4,12-14,16-17H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232088 (CHEMBL4064289) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(OC)cc2)c1 Show InChI InChI=1S/C26H31N7O4/c1-4-10-31-24-22(25(35)32(11-5-2)26(31)36)28-23(29-24)18-13-27-30(16-18)14-17-12-21(34)33(15-17)19-6-8-20(37-3)9-7-19/h6-9,13,16-17H,4-5,10-12,14-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231593 (CHEMBL4068469) Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(24)14-16(20-15(19-14)11-5-3-4-6-11)21-18(22)25-13-8-7-12(23)10-13/h11-13,23H,2-10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232087 (CHEMBL4072877) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H28FN7O3/c1-3-9-31-23-21(24(35)32(10-4-2)25(31)36)28-22(29-23)17-12-27-30(15-17)13-16-11-20(34)33(14-16)19-7-5-18(26)6-8-19/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232090 (CHEMBL4084760) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(C)c2)c1 Show InChI InChI=1S/C26H31N7O3/c1-4-9-31-24-22(25(35)32(10-5-2)26(31)36)28-23(29-24)19-13-27-30(16-19)14-18-12-21(34)33(15-18)20-8-6-7-17(3)11-20/h6-8,11,13,16,18H,4-5,9-10,12,14-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50232091 (CHEMBL4098199) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C26H30F2N8O3/c1-3-7-35-24-22(25(38)36(8-4-2)26(35)39)30-23(31-24)17-14-29-34(15-17)16-21(37)33-11-9-32(10-12-33)20-6-5-18(27)13-19(20)28/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) Article DOI: 10.1016/j.ejmech.2016.11.007 BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231710 (CHEMBL4101044) Show SMILES CCCn1c(Oc2cccc(O)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H22N4O3/c1-2-10-23-18(25)15-17(21-16(20-15)12-6-3-4-7-12)22-19(23)26-14-9-5-8-13(24)11-14/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231715 (CHEMBL4088084) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O/c1-2-10-27-18(13-8-5-9-14(11-13)20(21,22)23)26-17-15(19(27)28)24-16(25-17)12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231592 (CHEMBL4078636) Show SMILES CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(23)14-16(20-15(19-14)12-5-3-4-6-12)21-18(22)25-13-7-10-24-11-8-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair

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