Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'nueda' and Initial = 'a'   

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 A2b (Homo sapiens (Human))	BDBM50336996 (CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...) Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312965 (CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312950 (CHEMBL1079804 | N-(3'-fluoro-2-(furan-2-yl)-3,4'-b...) Show SMILES Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 Show InChI InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336991 (CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...) Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50336989 (CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336980 (CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cnco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312958 (CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336974 (CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336989 (CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313073 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336985 (CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1 Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336983 (CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES CCC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21)	PDB NCI pathway 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312961 (CHEMBL1081038 | N-(2-(4-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312951 (CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312949 (CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...) Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336982 (CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES CC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313078 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b...) Show SMILES O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 Show InChI InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312964 (CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313076 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20)	PDB NCI pathway 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336984 (CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22)	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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336978 (CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1 Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336989 (CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336990 (CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313077 (5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imid...) Show SMILES Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 Show InChI InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50312951 (CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336988 (2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...) Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25)	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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50312947 (CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...) Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336986 (CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1 Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)	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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313072 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b...) Show SMILES c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1 Show InChI InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312972 (CHEMBL1081041 | Cyclopropanecarboxylic acid [4,2'3...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50211682 (5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyri...) Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1 Show InChI InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)	PDB NCI pathway 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
Almirall Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells				J Med Chem 50: 2732-6 (2007) Checked by Author Article DOI: 10.1021/jm061333v BindingDB Entry DOI: 10.7270/Q2862G32
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336985 (CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1 Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50211685 (4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...) Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50211685 (4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...) Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Almirall Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells				J Med Chem 50: 2732-6 (2007) Checked by Author Article DOI: 10.1021/jm061333v BindingDB Entry DOI: 10.7270/Q2862G32
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336984 (CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22)	PDB 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313074 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-3H-imidazo[4,5-b...) Show SMILES c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-9(10-3-4-15-7-16-10)6-11-14(19-13)18-8-17-11/h1-8H,(H,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313075 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1 Show InChI InChI=1S/C14H9N5O/c1-2-12(20-5-1)13-10(11-3-4-15-8-16-11)6-9-7-17-19-14(9)18-13/h1-8H,(H,17,18,19)	PDB NCI pathway 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50211680 (4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...) Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Almirall Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells				J Med Chem 50: 2732-6 (2007) Checked by Author Article DOI: 10.1021/jm061333v BindingDB Entry DOI: 10.7270/Q2862G32
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336977 (CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336991 (CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...) Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1 Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336975 (CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50312951 (CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336981 (CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...) Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50336986 (CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1 Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair

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