BDBM50340041 5-amino-2-(3-chlorobenzyl)-7-(2-(4-(methylsulfonyl)piperazin-1-yl)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762629

SMILES: CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5cccc(Cl)c5)c(=O)n4c(N)nc23)CC1

InChI Key: InChIKey=YCDOAMXFXYCJKQ-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 = 50340041   

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))	BDBM50340041 (5-amino-2-(3-chlorobenzyl)-7-(2-(4-(methylsulfonyl...) Show SMILES CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5cccc(Cl)c5)c(=O)n4c(N)nc23)CC1 Show InChI InChI=1S/C20H24ClN9O3S/c1-34(32,33)27-8-5-26(6-9-27)7-10-28-17-16(12-23-28)18-25-29(20(31)30(18)19(22)24-17)13-14-3-2-4-15(21)11-14/h2-4,11-12H,5-10,13H2,1H3,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.5	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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