BDBM50044435 3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL83822

SMILES: CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1

InChI Key: InChIKey=SYUQQQFRDCSCCA-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 = 50044435   

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 A1 receptor (GUINEA PIG)	BDBM50044435 (3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1 Show InChI InChI=1S/C21H25N5O3/c1-2-10-26-20(28)17-19(24-18(23-17)14-5-8-16(27)12-14)25(21(26)29)11-9-13-3-6-15(22)7-4-13/h3-4,6-7,14H,2,5,8-12,22H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50044435 (3-[2-(4-Amino-phenyl)-ethyl]-8-(3-oxo-cyclopentyl)...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1 Show InChI InChI=1S/C21H25N5O3/c1-2-10-26-20(28)17-19(24-18(23-17)14-5-8-16(27)12-14)25(21(26)29)11-9-13-3-6-15(22)7-4-13/h3-4,6-7,14H,2,5,8-12,22H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair