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BDBM50320495 5-[4-(4-tert-butylbenzyloxy)-3-nitrophenyl]isoxazole-3-carboxylicacid::CHEMBL1163781

SMILES: CC(C)(C)c1ccc(COc2ccc(cc2[N+]([O-])=O)-c2cc([n-][o+]2)C(O)=O)cc1

InChI Key: InChIKey=VQOQDYLJULXJJF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320495   
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))
BDBM50320495
PNG
(5-[4-(4-tert-butylbenzyloxy)-3-nitrophenyl]isoxazo...)
Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2[N+]([O-])=O)-c2cc([n-][o+]2)C(O)=O)cc1
Show InChI InChI=1S/C21H20N2O6/c1-21(2,3)15-7-4-13(5-8-15)12-28-18-9-6-14(10-17(18)23(26)27)19-11-16(20(24)25)22-29-19/h4-11H,12H2,1-3H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase by spectrophotometry


Eur J Med Chem 45: 2663-70 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.013
BindingDB Entry DOI: 10.7270/Q2R211KJ
More data for this
Ligand-Target Pair