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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50043913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50448381
PNG
(CHEMBL2338661)
Show SMILES Oc1cccc2C(=O)c3cc(C=O)cc(O)c3C(=O)c12
Show InChI InChI=1S/C15H8O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-6,17-18H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.79E+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
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50448380
PNG
(CHEMBL3121613)
Show SMILES Oc1cccc2C(=O)c3cc(\C=N\c4ccccc4)cc(O)c3C(=O)c12
Show InChI InChI=1S/C21H13NO4/c23-16-8-4-7-14-18(16)21(26)19-15(20(14)25)9-12(10-17(19)24)11-22-13-5-2-1-3-6-13/h1-11,23-24H/b22-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.87E+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
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 |r|
Show InChI InChI=1S/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?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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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
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.12E+4n/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
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50429846
PNG
(CHEMBL2338671)
Show SMILES C[N+](C)(C)Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-19(2,3)9-10-7-12-16(14(21)8-10)18(23)15-11(17(12)22)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H-,20,21,23)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.87E+4n/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