BDBM50279732 1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethoxy)-phenyl]xanthine::CHEMBL472883

SMILES: COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

InChI Key: InChIKey=UDUDPDCSVFAFFL-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 = 50279732   

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))	BDBM50279732 (1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethox...) Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23)	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	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50279732 (1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethox...) Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair