BDBM50152237 2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-propyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine::CHEMBL187810
SMILES: Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
InChI Key: InChIKey=ATLUGIZVRICDDK-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 A2a (Homo sapiens (Human)) | BDBM50152237 (2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd Curated by ChEMBL | Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting | J Med Chem 59: 6470-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00653 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50152237 (2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Ltd Curated by ChEMBL | Assay Description Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting | J Med Chem 59: 6470-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00653 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50152237 (2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand | Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50152237 (2-Furan-2-yl-N*5*-[3-(4-phenyl-piperazin-1-yl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec, Inc. Curated by ChEMBL | Assay Description Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]-DPCPX as radioligand | Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T | |||||||||||
More data for this Ligand-Target Pair |