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SMILES: COc1ccc(cc1)-c1cc(N)nc(N)n1

InChI Key: InChIKey=JVWGRSYEFVJHCX-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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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 = 50381865   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50381865
PNG
(CHEMBL2023701)
Show SMILES COc1ccc(cc1)-c1cc(N)nc(N)n1
Show InChI InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem 20: 2930-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.019
BindingDB Entry DOI: 10.7270/Q2Z320NM
More data for this
Ligand-Target Pair