BDBM50340052 5-amino-2-benzyl-7-vinyl-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762510

SMILES: Nc1nc2n(C=C)ncc2c2nn(Cc3ccccc3)c(=O)n12

InChI Key: InChIKey=BIZORDZVDRMYCP-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 = 50340052   

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))	BDBM50340052 (5-amino-2-benzyl-7-vinyl-2H-pyrazolo[4,3-e][1,2,4]...) Show SMILES Nc1nc2n(C=C)ncc2c2nn(Cc3ccccc3)c(=O)n12 Show InChI InChI=1S/C15H13N7O/c1-2-20-12-11(8-17-20)13-19-21(9-10-6-4-3-5-7-10)15(23)22(13)14(16)18-12/h2-8H,1,9H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor				Bioorg Med Chem Lett 21: 2497-501 (2011) Article DOI: 10.1016/j.bmcl.2011.02.045 BindingDB Entry DOI: 10.7270/Q21Z44Q5
					More data for this Ligand-Target Pair