BDBM50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111
SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
InChI Key: InChIKey=MQQDQTRQZFWLNZ-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 A3 (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.17-0.20 | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL | Assay Description Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells | Bioorg Med Chem Lett 14: 2443-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.010 BindingDB Entry DOI: 10.7270/Q21C1W9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 256-620 | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 892 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells; Range 811-982 | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 772-1390 | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nutrition Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells | J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL | Assay Description Binding affinity for human adenosine A3 receptor expressed in HEK293 cells | Bioorg Med Chem Lett 14: 2443-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.010 BindingDB Entry DOI: 10.7270/Q21C1W9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50117223 (5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...) | 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 | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL | Assay Description Binding affinity for human adenosine A2A receptor expressed in HEK-293 cells | Bioorg Med Chem Lett 14: 2443-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.010 BindingDB Entry DOI: 10.7270/Q21C1W9W | |||||||||||
More data for this Ligand-Target Pair |