BDBM50140970 2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-N-(4-fluoro-phenyl)-acetamide::CHEMBL289903
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
InChI Key: InChIKey=NAJAEXIYPDYMBU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 65 | 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 specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptor | J Med Chem 47: 1434-47 (2004) Article DOI: 10.1021/jm0309654 BindingDB Entry DOI: 10.7270/Q22B8ZSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50140970 (2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production aft... | J Med Chem 55: 797-811 (2012) Article DOI: 10.1021/jm201292w BindingDB Entry DOI: 10.7270/Q2862GXT | |||||||||||
More data for this Ligand-Target Pair |