Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316205'   

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))	BDBM50316205 (CHEMBL1096889 | N-(2-(3-(2-(diisopropylamino)ethyl...) 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)NCCN(C(C)C)C(C)C |r| Show InChI InChI=1S/C38H52N10O6/c1-6-39-35(51)31-29(49)30(50)37(54-31)48-22-44-28-32(43-21-27(25-13-9-7-10-14-25)26-15-11-8-12-16-26)45-33(46-34(28)48)36(52)40-17-18-41-38(53)42-19-20-47(23(2)3)24(4)5/h7-16,22-24,27,29-31,37,49-50H,6,17-21H2,1-5H3,(H,39,51)(H,40,52)(H2,41,42,53)(H,43,45,46)/t29-,30+,31-,37+/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	5	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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