Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50418842'   

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))	BDBM50418842 (CHEMBL1800357) Show SMILES Nc1nc(nc(n1)-c1ccccc1O)N1Cc2ccc(F)cc2C1 Show InChI InChI=1S/C17H14FN5O/c18-12-6-5-10-8-23(9-11(10)7-12)17-21-15(20-16(19)22-17)13-3-1-2-4-14(13)24/h1-7,24H,8-9H2,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips b...				J Med Chem 54: 4312-23 (2011) Article DOI: 10.1021/jm2003798 BindingDB Entry DOI: 10.7270/Q2N29Z6W
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