BDBM50316207 6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(1-methyl-3-(2-(piperidin-1-yl)ethyl)ureido)ethyl)-9H-purine-2-carboxamide::CHEMBL1096891

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN(C)C(=O)NCCN1CCCCC1

InChI Key: InChIKey=XIXOARCJRUEODF-RBANDXJHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316207   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316207 (6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(eth...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN(C)C(=O)NCCN1CCCCC1 |r| Show InChI InChI=1S/C38H50N10O6/c1-3-39-35(51)31-29(49)30(50)37(54-31)48-24-43-28-32(42-23-27(25-13-7-4-8-14-25)26-15-9-5-10-16-26)44-33(45-34(28)48)36(52)40-17-21-46(2)38(53)41-18-22-47-19-11-6-12-20-47/h4-5,7-10,13-16,24,27,29-31,37,49-50H,3,6,11-12,17-23H2,1-2H3,(H,39,51)(H,40,52)(H,41,53)(H,42,44,45)/t29-,30+,31-,37+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	305	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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