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SMILES: CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1

InChI Key: InChIKey=PLBAAFYUPQVOCF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117234   

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))	BDBM50117234 (8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine ...) Show SMILES CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 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 A2a (Homo sapiens (Human))	BDBM50117234 (8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine ...) Show SMILES CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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