BDBM50152240 CHEMBL184309::N*5*-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-N*5*-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILES: CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1
InChI Key: InChIKey=DKCOTCJUXKLWCS-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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50152240 (CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of rat recombinant adenosine receptor A2a | J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50152240 (CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | 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)) | BDBM50152240 (CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 820 | 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 | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50152240 (CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of rat recombinant adenosine A1 receptor | J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J | |||||||||||
More data for this Ligand-Target Pair |