Compile Data Set for Download or QSAR

Found 434 hits with Last Name = 'zaid' and Initial = 'na'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 0.6 to 0.9 nM				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 2.7 to 4.4 nM				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					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
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					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
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170137 (1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]pur...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O |t:18| Show InChI InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50021450 (8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170941 (2-p-Tolyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-on...) Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21)	PDB 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
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140942 (CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140942 (CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140946 (8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140967 (CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140946 (8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140967 (CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140946 (8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140946 (8-{2-Methyl-5-[2-oxo-2-(4-phenyl-piperazin-1-yl)-e...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C Show InChI InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140951 (CHEMBL32229 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C Show InChI InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140951 (CHEMBL32229 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C Show InChI InChI=1S/C31H32F3N7O4/c1-4-14-40-28-26(29(43)41(15-5-2)30(40)44)36-27(37-28)23-17-24(38-39(23)3)35-25(42)16-19-10-12-21(13-11-19)45-18-20-8-6-7-9-22(20)31(32,33)34/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,36,37)(H,35,38,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170141 (1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O Show InChI InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 9 to 27				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140971 (CHEMBL32802 | N-(3,4-Dichloro-phenyl)-2-[5-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170946 (2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...) Show SMILES COc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140971 (CHEMBL32802 | N-(3,4-Dichloro-phenyl)-2-[5-(2,6-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140955 (2-Benzo[1,3]dioxol-5-yl-N-[5-(2,6-dioxo-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O5/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-12-18(28-29(15)3)25-19(32)11-14-6-7-16-17(10-14)36-13-35-16/h6-7,10,12H,4-5,8-9,11,13H2,1-3H3,(H,26,27)(H,25,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140955 (2-Benzo[1,3]dioxol-5-yl-N-[5-(2,6-dioxo-1,3-diprop...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O5/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-12-18(28-29(15)3)25-19(32)11-14-6-7-16-17(10-14)36-13-35-16/h6-7,10,12H,4-5,8-9,11,13H2,1-3H3,(H,26,27)(H,25,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140964 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170948 (2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qui...) Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140964 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140944 (CHEMBL287529 | N-(4-Bromo-phenyl)-2-[5-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C Show InChI InChI=1S/C23H26BrN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140944 (CHEMBL287529 | N-(4-Bromo-phenyl)-2-[5-(2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C Show InChI InChI=1S/C23H26BrN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170130 (1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidaz...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 19 to 26 nM				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170140 (1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1 Show InChI InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 18 to 29 nM				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170949 (2-(4-Fluoro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qui...) Show SMILES Fc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170944 (2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one...) Show SMILES O=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1 Show InChI InChI=1S/C16H11N3O/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140985 (2-(4-Chloro-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-6-8-15(24)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,26,27)(H,25,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140985 (2-(4-Chloro-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C Show InChI InChI=1S/C23H26ClN7O3/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-13-17(28-29(16)3)25-18(32)12-14-6-8-15(24)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,26,27)(H,25,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 25 to 38				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140956 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140956 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140989 (CHEMBL32281 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1 Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170941 (2-p-Tolyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-on...) Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of cAMP accumulation in human adenosine A3 receptor assay as inhibition of Cl-IB-MECA				J Med Chem 48: 5001-8 (2005) Article DOI: 10.1021/jm050125k BindingDB Entry DOI: 10.7270/Q24749DW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140989 (CHEMBL32281 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1 Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(28(3)27-16)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,24,31)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140994 (CHEMBL32481 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(27-28(16)3)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,25,26)(H,24,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140994 (CHEMBL32481 | N-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C Show InChI InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(27-28(16)3)24-18(31)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,25,26)(H,24,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170134 (1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O Show InChI InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 31 to 43 nM				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50141008 (1-(3-Chloro-phenyl)-3-[5-(2,6-dioxo-1,3-dipropyl-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(Cl)c2)nn1C Show InChI InChI=1S/C22H25ClN8O3/c1-4-9-30-19-17(20(32)31(10-5-2)22(30)34)26-18(27-19)15-12-16(28-29(15)3)25-21(33)24-14-8-6-7-13(23)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,26,27)(H2,24,25,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells				J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM
					More data for this Ligand-Target Pair

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