BDBM50044433 CHEMBL82222::N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-ethyl]-phenyl}-isobutyramide

SMILES: CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=KBTUYCVPQYWRQO-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 = 50044433   

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 (BOVINE)	BDBM50044433 (CHEMBL82222 | N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-p...) Show SMILES CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C25H33N5O3/c1-4-14-30-24(32)20-22(28-21(27-20)18-7-5-6-8-18)29(25(30)33)15-13-17-9-11-19(12-10-17)26-23(31)16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	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 towards Adenosine A1 receptor of bovine brain at 10e-5 M with [125I]-N6-aminobenzyladenosine				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50044433 (CHEMBL82222 | N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-p...) Show SMILES CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C25H33N5O3/c1-4-14-30-24(32)20-22(28-21(27-20)18-7-5-6-8-18)29(25(30)33)15-13-17-9-11-19(12-10-17)26-23(31)16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 towards Adenosine A2 receptor of human platelets with [125I]-N6-aminobenzyladenosine				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair