Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50082417'   

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))	BDBM50082417 (8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50082417 (8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95	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 (Homo sapiens (Human))	BDBM50082417 (8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1.70-2.10				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50082417 (8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from Adenosine A2A receptor in rat striatal membranes				J Med Chem 42: 4473-8 (1999) BindingDB Entry DOI: 10.7270/Q26972RX
					More data for this Ligand-Target Pair