Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with all data for entry = 50008487   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519753 (CHEMBL4526845) Show SMILES Oc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12 Show InChI InChI=1S/C15H9BrO3/c16-11-6-4-9(5-7-11)12-8-10-2-1-3-13(17)14(10)19-15(12)18/h1-8,17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM82053 (8-(2-Furyl)theophylline | US9138393, Theophylline ...) Show SMILES Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519760 (CHEMBL3950921) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519760 (CHEMBL3950921) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519762 (CHEMBL4565447) Show SMILES CCOc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12 Show InChI InChI=1S/C18H16O3/c1-3-20-16-6-4-5-14-11-15(18(19)21-17(14)16)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50344059 (8-Hydroxy-3-phenylcoumarin | CHEMBL1777846) Show SMILES Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C15H10O3/c16-13-8-4-7-11-9-12(15(17)18-14(11)13)10-5-2-1-3-6-10/h1-9,16H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519754 (CHEMBL1417172) Show SMILES COc1ccc(cc1)-c1cc2cccc(OC)c2oc1=O Show InChI InChI=1S/C17H14O4/c1-19-13-8-6-11(7-9-13)14-10-12-4-3-5-15(20-2)16(12)21-17(14)18/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344059 (8-Hydroxy-3-phenylcoumarin | CHEMBL1777846) Show SMILES Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C15H10O3/c16-13-8-4-7-11-9-12(15(17)18-14(11)13)10-5-2-1-3-6-10/h1-9,16H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519767 (CHEMBL4551749) Show SMILES CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O Show InChI InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344057 (8-Ethoxy-3-(4'-methoxyphenyl)coumarin | CHEMBL1777...) Show SMILES CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12 Show InChI InChI=1S/C18H16O4/c1-3-21-16-6-4-5-13-11-15(18(19)22-17(13)16)12-7-9-14(20-2)10-8-12/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519768 (CHEMBL4543278) Show SMILES CC(=O)Oc1ccc(cc1)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O Show InChI InChI=1S/C21H16O8/c1-11(22)26-16-7-4-14(5-8-16)17-10-15-6-9-18(27-12(2)23)20(28-13(3)24)19(15)29-21(17)25/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519769 (CHEMBL3914193) Show SMILES Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-11-5-4-8(7-13(11)18)10-6-9-2-1-3-12(17)14(9)20-15(10)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519770 (CHEMBL3939546) Show SMILES Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-10-3-1-7(6-12(10)18)9-5-8-2-4-11(17)13(19)14(8)21-15(9)20/h1-6,16-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM82053 (8-(2-Furyl)theophylline | US9138393, Theophylline ...) Show SMILES Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519766 (CHEMBL4452834) Show SMILES CC(=O)Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H12O4/c1-11(18)20-15-9-5-8-13-10-14(17(19)21-16(13)15)12-6-3-2-4-7-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519766 (CHEMBL4452834) Show SMILES CC(=O)Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H12O4/c1-11(18)20-15-9-5-8-13-10-14(17(19)21-16(13)15)12-6-3-2-4-7-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519748 (CHEMBL4471897) Show SMILES CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519772 (CHEMBL4532465) Show SMILES COc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12 Show InChI InChI=1S/C16H11NO5/c1-21-14-4-2-3-11-9-13(16(18)22-15(11)14)10-5-7-12(8-6-10)17(19)20/h2-9H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519770 (CHEMBL3939546) Show SMILES Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-10-3-1-7(6-12(10)18)9-5-8-2-4-11(17)13(19)14(8)21-15(9)20/h1-6,16-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519767 (CHEMBL4551749) Show SMILES CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O Show InChI InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519764 (CHEMBL4537667) Show SMILES CCOc1cccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 Show InChI InChI=1S/C20H20O6/c1-5-25-15-8-6-7-12-9-14(20(21)26-18(12)15)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-11H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519750 (CHEMBL4567011) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cccc(C)c2oc1=O Show InChI InChI=1S/C19H18O5/c1-11-6-5-7-12-8-14(19(20)24-17(11)12)13-9-15(21-2)18(23-4)16(10-13)22-3/h5-10H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519748 (CHEMBL4471897) Show SMILES CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519760 (CHEMBL3950921) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519758 (CHEMBL4556851) Show SMILES COc1ccc(cc1OC)-c1cc2cccc(C)c2oc1=O Show InChI InChI=1S/C18H16O4/c1-11-5-4-6-13-9-14(18(19)22-17(11)13)12-7-8-15(20-2)16(10-12)21-3/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519749 (CHEMBL4552685) Show SMILES CCOc1cccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 Show InChI InChI=1S/C19H18O5/c1-4-23-16-7-5-6-13-10-14(19(20)24-18(13)16)12-8-9-15(21-2)17(11-12)22-3/h5-11H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519769 (CHEMBL3914193) Show SMILES Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-11-5-4-8(7-13(11)18)10-6-9-2-1-3-12(17)14(9)20-15(10)19/h1-7,16-18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519759 (CHEMBL2397719) Show SMILES Cc1cccc2cc(-c3cc(O)c(O)c(O)c3)c(=O)oc12 Show InChI InChI=1S/C16H12O5/c1-8-3-2-4-9-5-11(16(20)21-15(8)9)10-6-12(17)14(19)13(18)7-10/h2-7,17-19H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519759 (CHEMBL2397719) Show SMILES Cc1cccc2cc(-c3cc(O)c(O)c(O)c3)c(=O)oc12 Show InChI InChI=1S/C16H12O5/c1-8-3-2-4-9-5-11(16(20)21-15(8)9)10-6-12(17)14(19)13(18)7-10/h2-7,17-19H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519765 (CHEMBL4587147) Show SMILES Cc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C16H12O2/c1-11-6-5-9-13-10-14(16(17)18-15(11)13)12-7-3-2-4-8-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519748 (CHEMBL4471897) Show SMILES CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519755 (CHEMBL4540947) Show SMILES Cc1ccc(cc1)-c1cc2cccc(C)c2oc1=O Show InChI InChI=1S/C17H14O2/c1-11-6-8-13(9-7-11)15-10-14-5-3-4-12(2)16(14)19-17(15)18/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519771 (CHEMBL4568143) Show SMILES CCOc1cccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12 Show InChI InChI=1S/C19H18O5/c1-4-23-16-7-5-6-12-10-15(19(20)24-18(12)16)14-9-8-13(21-2)11-17(14)22-3/h5-11H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519765 (CHEMBL4587147) Show SMILES Cc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C16H12O2/c1-11-6-5-9-13-10-14(16(17)18-15(11)13)12-7-3-2-4-8-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519767 (CHEMBL4551749) Show SMILES CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O Show InChI InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519756 (CHEMBL4533647) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cccc(OC(C)=O)c2oc1=O Show InChI InChI=1S/C21H16O8/c1-11(22)26-17-8-7-14(10-19(17)28-13(3)24)16-9-15-5-4-6-18(27-12(2)23)20(15)29-21(16)25/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519751 (CHEMBL4468869) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O Show InChI InChI=1S/C23H18O10/c1-11(24)29-18-7-5-15(10-20(18)31-13(3)26)17-9-16-6-8-19(30-12(2)25)22(32-14(4)27)21(16)33-23(17)28/h5-10H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519769 (CHEMBL3914193) Show SMILES Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-11-5-4-8(7-13(11)18)10-6-9-2-1-3-12(17)14(9)20-15(10)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519770 (CHEMBL3939546) Show SMILES Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-10-3-1-7(6-12(10)18)9-5-8-2-4-11(17)13(19)14(8)21-15(9)20/h1-6,16-19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50519758 (CHEMBL4556851) Show SMILES COc1ccc(cc1OC)-c1cc2cccc(C)c2oc1=O Show InChI InChI=1S/C18H16O4/c1-11-5-4-6-13-9-14(18(19)22-17(11)13)12-7-8-15(20-2)16(10-12)21-3/h4-10H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519747 (CHEMBL4547266) Show SMILES CC(=O)COc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12 Show InChI InChI=1S/C18H13BrO4/c1-11(20)10-22-16-4-2-3-13-9-15(18(21)23-17(13)16)12-5-7-14(19)8-6-12/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50519751 (CHEMBL4468869) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O Show InChI InChI=1S/C23H18O10/c1-11(24)29-18-7-5-15(10-20(18)31-13(3)26)17-9-16-6-8-19(30-12(2)25)22(32-14(4)27)21(16)33-23(17)28/h5-10H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50519757 (CHEMBL4573237) Show SMILES CCOc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12 Show InChI InChI=1S/C17H13BrO3/c1-2-20-15-5-3-4-12-10-14(17(19)21-16(12)15)11-6-8-13(18)9-7-11/h3-10H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50519758 (CHEMBL4556851) Show SMILES COc1ccc(cc1OC)-c1cc2cccc(C)c2oc1=O Show InChI InChI=1S/C18H16O4/c1-11-5-4-6-13-9-14(18(19)22-17(11)13)12-7-8-15(20-2)16(10-12)21-3/h4-10H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50519748 (CHEMBL4471897) Show SMILES CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair

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