Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316204'   

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))	BDBM50316204 (CHEMBL1096888 | N-(2-(3-(2-(cyclopentyl(isopropyl)...) 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)C1CCCC1 |r| Show InChI InChI=1S/C40H54N10O6/c1-4-41-37(53)33-31(51)32(52)39(56-33)50-24-46-30-34(45-23-29(26-13-7-5-8-14-26)27-15-9-6-10-16-27)47-35(48-36(30)50)38(54)42-19-20-43-40(55)44-21-22-49(25(2)3)28-17-11-12-18-28/h5-10,13-16,24-25,28-29,31-33,39,51-52H,4,11-12,17-23H2,1-3H3,(H,41,53)(H,42,54)(H2,43,44,55)(H,45,47,48)/t31-,32+,33-,39+/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	7	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
					More data for this Ligand-Target Pair