BDBM50205591 (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo-2-(phenylamino)ethoxy)phenylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::1-deoxy-1-[6-{4-[(phenylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide::CHEMBL226193

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12

InChI Key InChIKey=IXGUOIAEFXFZHP-UHFFFAOYSA-N

Data  3 KI  2 EC50

  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 = 50205591   

TargetAdenosine receptor A1(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205591(1-deoxy-1-[6-{4-[(phenylcarbamoyl)-methoxy]-phenyl...)
Affinity DataKi:  8.5nMAssay Description:Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed