Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50315629'   

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))	BDBM50315629 (2-(4-Fluorophenyl)-8-phenylethylpyrazolo[4,3-e]1,2...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair