Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316206'   

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))	BDBM50316206 (CHEMBL1096890 | N-(2-(3-(2-(3,4-dihydroisoquinolin...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C41H48N10O6/c1-2-42-38(54)34-32(52)33(53)40(57-34)51-25-47-31-35(46-23-30(27-12-5-3-6-13-27)28-14-7-4-8-15-28)48-36(49-37(31)51)39(55)43-18-19-44-41(56)45-20-22-50-21-17-26-11-9-10-16-29(26)24-50/h3-16,25,30,32-34,40,52-53H,2,17-24H2,1H3,(H,42,54)(H,43,55)(H2,44,45,56)(H,46,48,49)/t32-,33+,34-,40+/m0/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...				Bioorg Med Chem Lett 19: 4471-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.027 BindingDB Entry DOI: 10.7270/Q2ST7Q0C
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