BindingDB logo
myBDB logout

BDBM50457195 CHEMBL4208142

SMILES: OC(=O)c1cnn(c1)-c1ccc(N2CCCC2)c(c1)C#N

InChI Key: InChIKey=SRHHQCMHIGIRJK-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50457195   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50457195
PNG
(CHEMBL4208142)
Show SMILES OC(=O)c1cnn(c1)-c1ccc(N2CCCC2)c(c1)C#N
Show InChI InChI=1S/C15H14N4O2/c16-8-11-7-13(19-10-12(9-17-19)15(20)21)3-4-14(11)18-5-1-2-6-18/h3-4,7,9-10H,1-2,5-6H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...


Eur J Med Chem 140: 20-30 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.047
BindingDB Entry DOI: 10.7270/Q2474DFK
More data for this
Ligand-Target Pair