BindingDB logo
myBDB logout

null

SMILES: COc1cc(ccc1OCC(C)C)-c1cc(=O)[nH]c(N)n1

InChI Key: InChIKey=PQUTWVLTWDAHDC-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402274   
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


(Homo sapiens (Human))		BDBM50402274
PNG
(CHEMBL2205507)
Show SMILES COc1cc(ccc1OCC(C)C)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C15H19N3O3/c1-9(2)8-21-12-5-4-10(6-13(12)20-3)11-7-14(19)18-15(16)17-11/h4-7,9H,8H2,1-3H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 22: 7543-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.029
BindingDB Entry DOI: 10.7270/Q2445NNH
More data for this
Ligand-Target Pair