BDBM50170132 1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL434534
SMILES: CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
InChI Key: InChIKey=PYBPORWWSICOQW-UHFFFAOYSA-N
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 |
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Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | 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 A3 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Ferrara Curated by ChEMBL | Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 0.6 to 0.9 nM | J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells | J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of [3H]-ZM 241385 binding to human adenosine A2a receptor expressed in CHO cells | J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 A3 (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula... | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of 100 nM NECA-stimulated cAMP production in CHO cells expressing human adenosine A2B receptor | J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50170132 (1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 |