BDBM50138541 CHEMBL151050::Ethyl-thiocarbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester

SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12

InChI Key InChIKey=FABRULMJHVBZGJ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138541   

TargetAdenosine receptor A1(Human)
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50138541(Ethyl-thiocarbamic acid (2R,3S,4R)-5-{2-chloro-6-[...)
Affinity DataKi:  55nMAssay Description:Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]CCPA as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed