BDBM50254895 1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL518729

SMILES: Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1

InChI Key: InChIKey=SOHDIYAJIQVATR-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50254895   

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 A3 (Homo sapiens (Human))	BDBM50254895 (1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,...) Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 Show InChI InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50254895 (1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,...) Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 Show InChI InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50254895 (1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,...) Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 Show InChI InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50254895 (1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,...) Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 Show InChI InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human cloned adenosine A2B cells expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair