BDBM50159970 8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL361826

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1

InChI Key: InChIKey=JNJWKLSCJORTLT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50159970   

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 A3 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 (2 nM) radioligand in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair