Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50151187'   

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 (Rattus norvegicus (rat))	BDBM50151187 (2-Furan-2-yl-5-[4-(2-methyl-pyridin-3-ylmethyl)-pi...) Show SMILES Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
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