BDBM50047183 CHEMBL25859::N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-vinyl]-phenyl}-acetamide

SMILES: CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1

InChI Key: InChIKey=HUNBZXAQRALIFF-CMDGGOBGSA-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 = 50047183   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50047183 (CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...) Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50047183 (CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...) Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand				J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair