BDBM50306760 2-(4-amino-5-cyanopyrimidin-2-ylthio)-N-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophen-2-yl)acetamide::CHEMBL602076

SMILES Nc1nc(SCC(=O)NC2=C(C#N)C3CCCCC3S2)ncc1C#N

InChI Key InChIKey=UCRYJTLNUSLUAU-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 50306760   

TargetAdenosine receptor A2a(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50306760(2-(4-amino-5-cyanopyrimidin-2-ylthio)-N-(3-cyano-3...)
Affinity DataKi:  6.10E+3nMAssay Description:Inhibition of human adenosine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed