BDBM50254000 3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461857
SMILES: Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
InChI Key: InChIKey=ZTAHTOOYAQNJRV-UHFFFAOYSA-N
Data: 4 KI
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 A2a (Homo sapiens (Human)) | BDBM50254000 (3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]...) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd Curated by ChEMBL | Assay Description Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting | J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50254000 (3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd Curated by ChEMBL | Assay Description Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting | J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50254000 (3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd Curated by ChEMBL | Assay Description Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting | J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50254000 (3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd Curated by ChEMBL | Assay Description Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting | J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B | |||||||||||
More data for this Ligand-Target Pair |