Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50064702'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064702 (7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064702 (7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50064702 (7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064702 (7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair