BDBM50227193 CHEBI:17712::Xanthine

SMILES O=c1[nH]c2[nH]cnc2c(=O)[nH]1

InChI Key InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 20 PDB IDs match this monomer.

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 3 hits for monomerid = 50227193   

TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50227193(CHEBI:17712 | Xanthine)
Show SMILES O=c1[nH]c2[nH]cnc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Affinity DataKi:  1.30E+5nMAssay Description:Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 receptor of VA13 fibroblasts of ratMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM50227193(CHEBI:17712 | Xanthine)
Show SMILES O=c1[nH]c2[nH]cnc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's m...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Waterloo

Curated by ChEMBL
LigandPNGBDBM50227193(CHEBI:17712 | Xanthine)
Show SMILES O=c1[nH]c2[nH]cnc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's metho...More data for this Ligand-Target Pair