BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate Synthase (TS)' and Monomerid = 50251157   
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
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50251157
PNG
(2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diami...)
Show SMILES COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC
Show InChI InChI=1S/C22H21N5O2/c1-28-18-9-8-15(12-19(18)29-2)25-22-20(13-6-4-3-5-7-13)27-21-16(24)10-14(23)11-17(21)26-22/h3-12H,23-24H2,1-2H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Lactobacillus casei thymidylate synthase


Eur J Med Chem 43: 189-203 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.035
BindingDB Entry DOI: 10.7270/Q27P8Z43
More data for this
Ligand-Target Pair