BDBM50340033 5-amino-2-(3-chlorobenzyl)-7-(2-(4-(pyrazin-2-yl)piperazin-1-yl)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762637

SMILES: Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12

InChI Key: InChIKey=FTTCWIMLUNQMNO-UHFFFAOYSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340033   

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))	BDBM50340033 (5-amino-2-(3-chlorobenzyl)-7-(2-(4-(pyrazin-2-yl)p...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C23H24ClN11O/c24-17-3-1-2-16(12-17)15-34-23(36)35-21(30-34)18-13-28-33(20(18)29-22(35)25)11-8-31-6-9-32(10-7-31)19-14-26-4-5-27-19/h1-5,12-14H,6-11,15H2,(H2,25,29)	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	12.9	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
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