Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50032531   

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 A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50039951 (2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...) Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330632 (3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	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
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50102282 (3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...) Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50133368 (CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...) Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2b receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330628 (3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...) Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330630 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330626 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330632 (3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330629 (3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[...) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330623 (3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330638 (3-Benzyl-1-(3-fluorophenyl)-9-phenylpyrazolo[1',5'...) Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C27H18FN5O/c28-21-13-7-12-20(14-21)25-24-23-15-22(19-10-5-2-6-11-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-8-3-1-4-9-18/h1-15,17H,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50193584 (3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrim...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330639 (3-Benzyl-1-(4-fluorophenyl)-9-thiophen-3-yl-pyrazo...) Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C25H16FN5OS/c26-19-8-6-17(7-9-19)23-22-21-12-20(18-10-11-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-4-2-1-3-5-16/h1-12,14-15H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330625 (3-Benzyl-6-ethyl-9-phenyl-1-pyridin-3-yl-pyrazolo[...) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-16-22(31-34(23)24)20-12-7-4-8-13-20)26(21-14-9-15-29-17-21)32-33(28(27)35)18-19-10-5-3-6-11-19/h3-17H,2,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330637 (3-Benzyl-1-(3-fluorophenyl)-9-thiophen-3-yl-pyrazo...) Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C25H16FN5OS/c26-19-8-4-7-17(11-19)23-22-21-12-20(18-9-10-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330627 (3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...) Show SMILES CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-19(2)28-31-27-25(24-17-23(32-35(24)28)21-11-7-4-8-12-21)26(22-13-15-30-16-14-22)33-34(29(27)36)18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330640 (3-Benzyl-1-(4-fluorophenyl)-9-phenylpyrazolo[1',5'...) Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C27H18FN5O/c28-21-13-11-20(12-14-21)25-24-23-15-22(19-9-5-2-6-10-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-7-3-1-4-8-18/h1-15,17H,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330624 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Bos taurus)	BDBM50133368 (CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...) Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A3 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330622 (1-Methyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3cnc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-27(20)14-24-22(21)23(29)28(25-15)16(2)17-9-5-3-6-10-17/h3-14,16H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	475	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330630 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330634 (3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6...) Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C30H25N5O/c1-2-12-26-31-29-27(25-19-24(32-35(25)26)22-15-8-4-9-16-22)28(23-17-10-5-11-18-23)33-34(30(29)36)20-21-13-6-3-7-14-21/h3-11,13-19H,2,12,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	564	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330624 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	572	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330628 (3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...) Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	773	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330631 (3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	805	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Bos taurus)	BDBM50102282 (3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...) Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A3 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50133368 (CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...) Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 180 mins				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330618 (3-Benzyl-1,9-diphenylpyrazolo[1',5':1,6]pyrimido[4...) Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccccc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C27H19N5O/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-16,18H,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330636 (3-Benzyl-1,9-diphenyl-6-methylpyrazolo[1',5':1,6]p...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H21N5O/c1-19-29-27-25(24-17-23(30-33(19)24)21-13-7-3-8-14-21)26(22-15-9-4-10-16-22)31-32(28(27)34)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330619 (3-Benzyl-1-chloro-6-methyl-9-phenylpyrazolo[1',5':...) Show SMILES Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C22H16ClN5O/c1-14-24-20-19(18-12-17(25-28(14)18)16-10-6-3-7-11-16)21(23)26-27(22(20)29)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330626 (3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330620 (6-Ethyl-9-phenyl-3-(1-phenylethyl)-1-methylpyrazol...) Show SMILES CCc1nc2c(c(C)nn(C(C)c3ccccc3)c2=O)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C25H23N5O/c1-4-22-26-24-23(21-15-20(28-30(21)22)19-13-9-6-10-14-19)16(2)27-29(25(24)31)17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330635 (3-Benzyl-1,9-diphenyl-6-ethylpyrazolo[1',5':1,6]py...) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H23N5O/c1-2-25-30-28-26(24-18-23(31-34(24)25)21-14-8-4-9-15-21)27(22-16-10-5-11-17-22)32-33(29(28)35)19-20-12-6-3-7-13-20/h3-18H,2,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330629 (3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[...) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330621 (1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1'...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1 Show InChI InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330619 (3-Benzyl-1-chloro-6-methyl-9-phenylpyrazolo[1',5':...) Show SMILES Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C22H16ClN5O/c1-14-24-20-19(18-12-17(25-28(14)18)16-10-6-3-7-11-16)21(23)26-27(22(20)29)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330633 (3-Benzyl-1-(3-fluorophenyl)-6-methyl-9-phenylpyraz...) Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccc(F)c2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H20FN5O/c1-18-30-27-25(24-16-23(31-34(18)24)20-11-6-3-7-12-20)26(21-13-8-14-22(29)15-21)32-33(28(27)35)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50165819 (7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50330623 (3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50330621 (1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1'...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1 Show InChI InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 180 mins				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330627 (3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...) Show SMILES CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-19(2)28-31-27-25(24-17-23(32-35(24)28)21-11-7-4-8-12-21)26(22-13-15-30-16-14-22)33-34(29(27)36)18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330623 (3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50193584 (3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrim...) Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
					More data for this Ligand-Target Pair

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