Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50427585'   

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))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A adenosine receptor expressed in CHO cells after 60 mins by scintillation counting analysis				J Med Chem 56: 2256-69 (2013) Article DOI: 10.1021/jm400068e BindingDB Entry DOI: 10.7270/Q29K4CKZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Bioorg Med Chem 24: 2794-808 (2016) Article DOI: 10.1016/j.bmc.2016.04.048 BindingDB Entry DOI: 10.7270/Q23X88JC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50427585 (CHEMBL2322917) Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) Article DOI: 10.1016/j.ejmech.2015.11.015 BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair