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BDBM50254558 2-(2-cyano-4-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)phenoxy)acetic acid::CHEMBL462496

SMILES: Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC(O)=O)c(c1)C#N

InChI Key: InChIKey=SSTLHFKNYPCBEW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50254558   
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))
BDBM50254558
PNG
(2-(2-cyano-4-(5-(2-methylpyridin-4-yl)-2H-1,2,4-tr...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC(O)=O)c(c1)C#N
Show InChI InChI=1S/C17H13N5O3/c1-10-6-12(4-5-19-10)17-20-16(21-22-17)11-2-3-14(13(7-11)8-18)25-9-15(23)24/h2-7H,9H2,1H3,(H,23,24)(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 110n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by s...


Eur J Med Chem 146: 668-677 (2018)

More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50254558
PNG
(2-(2-cyano-4-(5-(2-methylpyridin-4-yl)-2H-1,2,4-tr...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(OCC(O)=O)c(c1)C#N
Show InChI InChI=1S/C17H13N5O3/c1-10-6-12(4-5-19-10)17-20-16(21-22-17)11-2-3-14(13(7-11)8-18)25-9-15(23)24/h2-7H,9H2,1H3,(H,23,24)(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Fuji Yakuhin Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase


Bioorg Med Chem Lett 19: 184-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.122
BindingDB Entry DOI: 10.7270/Q2DR2VBH
More data for this
Ligand-Target Pair