BDBM50309799 2-(6-Amino-3-imino-4,5-disulfonato-3H-xanthen-9-yl)-5-(6-(4-(6-(6-3-chlorobenzylamino)-9-((1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)bicycle[3.1.0]hexane-2-yl)-9H-purin-2-yl)hex-5-ynyl)-1H-1,2,3-triazol-1-yl)hexylcarbamoyl)benzoate::CHEMBL603051

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCCCNC(=O)c2ccc(c(c2)C([O-])=O)-c2c3ccc(N)c(c3oc3c(c(=[NH2+])ccc23)S(O)(=O)=O)S(O)(=O)=O)nn1

InChI Key InChIKey=DUFFYMXQMNSLLQ-CFDBQPFWSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309799   

TargetAdenosine receptor A3(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50309799(2-(6-Amino-3-imino-4,5-disulfonato-3H-xanthen-9-yl...)
Affinity DataKi:  416nMAssay Description:Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed