BDBM50308566 8-(4-(3,6,9,12-tetraoxatricos-22-enyloxy)phenyl)-theophylline::CHEMBL589251

SMILES: Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1

InChI Key: InChIKey=VVFSRAIHBDLLMD-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50308566   

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 A2b (Homo sapiens (Human))	BDBM50308566 (8-(4-(3,6,9,12-tetraoxatricos-22-enyloxy)phenyl)-t...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1 Show InChI InChI=1S/C33H50N4O7/c1-4-5-6-7-8-9-10-11-12-13-18-40-19-20-41-21-22-42-23-24-43-25-26-44-28-16-14-27(15-17-28)30-34-29-31(35-30)36(2)33(39)37(3)32(29)38/h4,14-17H,1,5-13,18-26H2,2-3H3,(H,34,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de M£laga Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane				Bioorg Med Chem 18: 2081-8 (2010) Article DOI: 10.1016/j.bmc.2010.02.014 BindingDB Entry DOI: 10.7270/Q2QZ2B2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50308566 (8-(4-(3,6,9,12-tetraoxatricos-22-enyloxy)phenyl)-t...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1 Show InChI InChI=1S/C33H50N4O7/c1-4-5-6-7-8-9-10-11-12-13-18-40-19-20-41-21-22-42-23-24-43-25-26-44-28-16-14-27(15-17-28)30-34-29-31(35-30)36(2)33(39)37(3)32(29)38/h4,14-17H,1,5-13,18-26H2,2-3H3,(H,34,35)	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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de M£laga Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in in human HeLa cell membrane				Bioorg Med Chem 18: 2081-8 (2010) Article DOI: 10.1016/j.bmc.2010.02.014 BindingDB Entry DOI: 10.7270/Q2QZ2B2K
					More data for this Ligand-Target Pair