BDBM50229886 2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-acetamide::2-(3,4-dimethoxyphenyl)-N-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl)acetamide::CHEMBL408186
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
InChI Key: InChIKey=CHXXPRACCKMCBL-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)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | 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)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | 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]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells | Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | 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)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells | J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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]DPCPX from human adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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 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 A2a (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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 |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells | J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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]ZM-241385 from human adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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 |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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 |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells | J Med Chem 49: 3682-92 (2006) Article DOI: 10.1021/jm051268+ BindingDB Entry DOI: 10.7270/Q21V5DMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50229886 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...) | 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 | 120 | 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 |