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BDBM50448379 CHEMBL2338666

SMILES: COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12

InChI Key: InChIKey=ZBDMNFUTRMHYER-HVEMKWCLNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448379   
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


(Bos taurus (Bovine))
BDBM50448379
PNG
(CHEMBL2338666)
Show SMILES COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12
Show InChI InChI=1/C31H31NO13/c1-14(33)41-13-23-29(42-15(2)34)30(43-16(3)35)26(31(45-23)44-17(4)36)32-12-18-10-20-25(22(11-18)40-6)28(38)24-19(27(20)37)8-7-9-21(24)39-5/h7-12,23,26,29-31H,13H2,1-6H3/b32-12+/t23-,26-,29-,30+,31?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.43E+3n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry


Eur J Med Chem 75: 289-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.058
BindingDB Entry DOI: 10.7270/Q2F76F2M
More data for this
Ligand-Target Pair