BDBM50086144 4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclopentylamino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL276321
SMILES: Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
InChI Key: InChIKey=WITWYNVZVUALQW-UHFFFAOYSA-N
Data: 3 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 A1 receptor (BOVINE) | BDBM50086144 (4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM | J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086144 (4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Antagonist activity at human adenosine A3 receptor | Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50086144 (4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' di Firenze Curated by ChEMBL | Assay Description Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM | J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG | |||||||||||
More data for this Ligand-Target Pair |