Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50141454'   

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))	BDBM50141454 (CHEMBL288258 | Cyclohexanecarboxylic acid [6-amino...) Show SMILES Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H24N6O5/c18-13-10-14(21-17(20-13)22-15(27)8-4-2-1-3-5-8)23(7-19-10)16-12(26)11(25)9(6-24)28-16/h7-9,11-12,16,24-26H,1-6H2,(H3,18,20,21,22,27)/t9-,11-,12-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A2A receptor in stably transfected CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair