Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50163024'   

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))	BDBM50163024 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(pyridin-3-ylm...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12 Show InChI InChI=1S/C16H18N6O4/c23-6-10-12(24)13(25)16(26-10)22-8-21-11-14(19-7-20-15(11)22)18-5-9-2-1-3-17-4-9/h1-4,7-8,10,12-13,16,23-25H,5-6H2,(H,18,19,20)/t10-,12-,13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells				J Med Chem 48: 1745-58 (2005) Article DOI: 10.1021/jm049580r BindingDB Entry DOI: 10.7270/Q23F4P52
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