BDBM50110988 CHEMBL37621::[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1

InChI Key: InChIKey=HAMHJODFTBSJOJ-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 = 50110988   

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 A1 (Rattus norvegicus (rat))	BDBM50110988 (CHEMBL37621 | [4-(2,6-Dioxo-1-propyl-2,3,6,7-tetra...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C16H16N4O5/c1-2-7-20-15(23)12-14(19-16(20)24)18-13(17-12)9-3-5-10(6-4-9)25-8-11(21)22/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110988 (CHEMBL37621 | [4-(2,6-Dioxo-1-propyl-2,3,6,7-tetra...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C16H16N4O5/c1-2-7-20-15(23)12-14(19-16(20)24)18-13(17-12)9-3-5-10(6-4-9)25-8-11(21)22/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,24)(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair