Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'gutiérrez-de-terán' and Initial = 'h'   

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
Plasmepsin II (Plasmodium falciparum)	BDBM50209559 ((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) by fluorometric assay				Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50209559 ((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157669 (CHEMBL225460 | cyclopentane carboxylic acid (4,6di...) Show SMILES O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335694 (CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335712 (CHEMBL1650356 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H21N3O3/c1-4-20(25)23-19-13-18(14-5-9-16(26-2)10-6-14)22-21(24-19)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25)	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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335711 (CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)	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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157673 (CHEMBL222719 | LUF-5735 | N-(4,6-diphenylpyrimidin...) Show SMILES CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335707 (CHEMBL1650349 | N-2,6-di-p-tolylpyrimidin-4-yl)ace...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H19N3O/c1-13-4-8-16(9-5-13)18-12-19(21-15(3)24)23-20(22-18)17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424514 (CHEMBL2312110) Show SMILES COc1ccc(cc1OC)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-16(14-6-8-17(27-2)19(10-14)29-4)24-22(25-21)15-7-9-18(28-3)20(11-15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335693 (CHEMBL1650380 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O5/c1-2-20(25)23-19-9-14(12-3-5-15-17(7-12)28-10-26-15)22-21(24-19)13-4-6-16-18(8-13)29-11-27-16/h3-9H,2,10-11H2,1H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335731 (CHEMBL1650376 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...) Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-8-6-14(27-2)10-19(16)29-4)24-22(25-21)17-9-7-15(28-3)11-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB 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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335731 (CHEMBL1650376 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...) Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-8-6-14(27-2)10-19(16)29-4)24-22(25-21)17-9-7-15(28-3)11-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB 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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50335696 (CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335695 (CHEMBL1650385 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50424515 (CHEMBL2311746) Show SMILES COc1ccc(OC)c(c1)-c1cc(NC(C)=O)nc(n1)-c1cc(OC)ccc1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-10-14(27-2)6-8-19(16)29-4)24-22(25-21)17-11-15(28-3)7-9-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50335695 (CHEMBL1650385 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335696 (CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335738 (CHEMBL1650387 | N-2,6-dithiophen-2-yl)pyrimidin-4-...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 Show InChI InChI=1S/C14H11N3OS2/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)	PDB 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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50335694 (CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335750 (CHEMBL1650402 | N-(4,6-diphenylpyrimidin-2-yl)-3,3...) Show SMILES CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)25-21-23-18(16-10-6-4-7-11-16)14-19(24-21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157654 (CHEMBL376778 | LUF-5737 | N-(4,6-diphenylpyrimidin...) Show SMILES CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335735 (CHEMBL1650381 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H19N3O5/c1-2-3-21(26)24-20-10-15(13-4-6-16-18(8-13)29-11-27-16)23-22(25-20)14-5-7-17-19(9-14)30-12-28-17/h4-10H,2-3,11-12H2,1H3,(H,23,24,25,26)	PDB 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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335696 (CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335697 (CHEMBL1650390 | N-2,6-difuran-3-yl)pyrimidin-4-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1 Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335733 (CHEMBL1650378 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC Show InChI InChI=1S/C24H27N3O5/c1-6-7-23(28)26-22-14-19(17-10-8-15(29-2)12-20(17)31-4)25-24(27-22)18-11-9-16(30-3)13-21(18)32-5/h8-14H,6-7H2,1-5H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335713 (CHEMBL1650357 | N-2,6-bis4-methoxyphenyl)pyrimidin...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H23N3O3/c1-4-5-21(26)24-20-14-19(15-6-10-17(27-2)11-7-15)23-22(25-20)16-8-12-18(28-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,23,24,25,26)	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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335732 (CHEMBL1650377 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC Show InChI InChI=1S/C23H25N3O5/c1-6-22(27)25-21-13-18(16-9-7-14(28-2)11-19(16)30-4)24-23(26-21)17-10-8-15(29-3)12-20(17)31-5/h7-13H,6H2,1-5H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50157676 (CHEMBL426565 | N-(2,6-diphenylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)	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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50335694 (CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)	PDB NCI pathway 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
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50157676 (CHEMBL426565 | N-(2,6-diphenylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335720 (CHEMBL1650365 | N-2,6-bis4-fluorophenyl)pyrimidin-...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F2N3O/c1-2-18(25)23-17-11-16(12-3-7-14(20)8-4-12)22-19(24-17)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335744 (CHEMBL1650396 | N-(2,6-bis(4-methoxyphenyl)pyrimid...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C(C)C)nc(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H23N3O3/c1-14(2)22(26)25-20-13-19(15-5-9-17(27-3)10-6-15)23-21(24-20)16-7-11-18(28-4)12-8-16/h5-14H,1-4H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335698 (CHEMBL1650391 | N-2,6-difuran-3-yl)pyrimidin-4-yl)...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1 Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-7-12(10-3-5-20-8-10)16-15(18-13)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335693 (CHEMBL1650380 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O5/c1-2-20(25)23-19-9-14(12-3-5-15-17(7-12)28-10-26-15)22-21(24-19)13-4-6-16-18(8-13)29-11-27-16/h3-9H,2,10-11H2,1H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335695 (CHEMBL1650385 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335736 (CHEMBL1650382 | N-2,6-distyrylpyrimidin-4-yl)aceta...) Show SMILES CC(=O)Nc1cc(\C=C\c2ccccc2)nc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C22H19N3O/c1-17(26)23-22-16-20(14-12-18-8-4-2-5-9-18)24-21(25-22)15-13-19-10-6-3-7-11-19/h2-16H,1H3,(H,23,24,25,26)/b14-12+,15-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50415880 (CHEMBL1097489) Show SMILES CCn1n2c(nc(O)c2c2ccccc2c1=O)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C21H19N3O3/c1-3-12-27-15-9-7-8-14(13-15)19-22-20(25)18-16-10-5-6-11-17(16)21(26)23(4-2)24(18)19/h3,5-11,13,25H,1,4,12H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Minho Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting				Bioorg Med Chem 18: 3043-52 (2010) Article DOI: 10.1016/j.bmc.2010.03.048 BindingDB Entry DOI: 10.7270/Q20V8F13
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335747 (CHEMBL1650399 | N-(2,6-bis(2,4-dimethoxyphenyl)pyr...) Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(=O)C(C)C)nc(n1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C24H27N3O5/c1-14(2)24(28)27-22-13-19(17-9-7-15(29-3)11-20(17)31-5)25-23(26-22)18-10-8-16(30-4)12-21(18)32-6/h7-14H,1-6H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50335696 (CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1 Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335719 (CHEMBL1650364 | N-2,6-bis4-fluorophenyl)pyrimidin-...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H13F2N3O/c1-11(24)21-17-10-16(12-2-6-14(19)7-3-12)22-18(23-17)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335734 (CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335725 (CHEMBL1650370 | N-2,6-bis2-methoxyphenyl)pyrimidin...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F Show InChI InChI=1S/C18H13F2N3O/c1-11(24)21-17-10-16(12-6-2-4-8-14(12)19)22-18(23-17)13-7-3-5-9-15(13)20/h2-10H,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50335708 (CHEMBL1650350 | N-2,6-di-p-tolylpyrimidin-4-yl)pro...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C21H21N3O/c1-4-20(25)23-19-13-18(16-9-5-14(2)6-10-16)22-21(24-19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50335727 (CHEMBL1650372 | N-2,6-bis2-methoxyphenyl)pyrimidin...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F Show InChI InChI=1S/C20H17F2N3O/c1-2-7-19(26)24-18-12-17(13-8-3-5-10-15(13)21)23-20(25-18)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50157659 (CHEMBL222384 | N-(2,6-diphenylpyrimidin-4-yl)butyr...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 209 total )  |  Next  |  Last  >>

Jump to: