BDBM50343134 2-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamino)-2-oxoethanaminium::CHEMBL1181535

SMILES: NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=VVLQSHIUIYJGEW-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50343134   

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))	BDBM50343134 (2-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1...) Show SMILES NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H18N8O2/c21-11-16(29)22-20-24-17-14(12-27(25-17)9-8-13-5-2-1-3-6-13)19-23-18(26-28(19)20)15-7-4-10-30-15/h1-7,10,12H,8-9,11,21H2,(H,22,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	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