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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6295   
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/oxidase


(Bos taurus (Bovine))
BDBM120842
PNG
(2,4‐dichloro‐6‐{2‐phenyl&#...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-14-10-16(21(28)17(24)11-14)22-25-18-9-5-4-8-15(18)20-12-19(26-27(20)22)13-6-2-1-3-7-13/h1-12,22,25,28H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM120843
PNG
(5‐(3‐nitrophenyl)‐2‐phenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c27-26(28)17-10-6-9-16(13-17)22-23-19-12-5-4-11-18(19)21-14-20(24-25(21)22)15-7-2-1-3-8-15/h1-14,22-23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(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 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.16E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50423917
PNG
(2-(3-Phenyl-1Hpyrazol- 5-yl)aniline (10) | CHEMBL2...)
Show SMILES Nc1ccccc1-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H13N3/c16-13-9-5-4-8-12(13)15-10-14(17-18-15)11-6-2-1-3-7-11/h1-10H,16H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.17E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM120841
PNG
(5‐(3,4‐dimethoxyphenyl)‐2‐...)
Show SMILES COc1ccc(cc1OC)C1Nc2ccccc2-c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c1-28-22-13-12-17(14-23(22)29-2)24-25-19-11-7-6-10-18(19)21-15-20(26-27(21)24)16-8-4-3-5-9-16/h3-15,24-25H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37E+4n/an/an/an/a7.525



Central University of Punjab



Assay Description
The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 µM) was d...


Bioorg Chem 57: 57-64 (2014)


Article DOI: 10.1016/j.bioorg.2014.08.007
BindingDB Entry DOI: 10.7270/Q22Z146M
More data for this
Ligand-Target Pair