BDBM50117242 5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123195

SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1

InChI Key: InChIKey=AOQQKAFTTRHCAS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117242   

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))	BDBM50117242 (5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]pu...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1 Show InChI InChI=1S/C15H15N7/c1-2-3-6-11-19-14-12(17-9-18-14)15-20-13(21-22(11)15)10-5-4-7-16-8-10/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	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))	BDBM50117242 (5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]pu...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1 Show InChI InChI=1S/C15H15N7/c1-2-3-6-11-19-14-12(17-9-18-14)15-20-13(21-22(11)15)10-5-4-7-16-8-10/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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