BDBM50117236 5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333535

SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=BZGUKWZZBROAAA-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 = 50117236   

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))	BDBM50117236 (5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]tria...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H22N6O3/c1-5-6-7-14-22-18-15(20-10-21-18)19-23-17(24-25(14)19)11-8-12(26-2)16(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H,20,21)	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	2.50E+3	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117236 (5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]tria...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C19H22N6O3/c1-5-6-7-14-22-18-15(20-10-21-18)19-23-17(24-25(14)19)11-8-12(26-2)16(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	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