BDBM50043215 8-(2-Phenyl-cyclopentyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL2367993

SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1

InChI Key: InChIKey=YVSLCJDYNIHYIX-SJORKVTESA-N

Data: 1 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 1 hit for monomerid = 50043215   

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))	BDBM50043215 (8-(2-Phenyl-cyclopentyl)-1,3-dipropyl-3,9-dihydro-...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1 Show InChI InChI=1S/C22H28N4O2/c1-3-13-25-20-18(21(27)26(14-4-2)22(25)28)23-19(24-20)17-12-8-11-16(17)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair