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PubMed code 20163895

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50316412
PNG
(2-amino-4-oxo-5-thiopyridyl-6-methyl pyrrolo(2,3-d...)
Show SMILES Cc1[nH]c2nc(C)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS/c1-7-11(19-9-3-5-14-6-4-9)10-12(15-7)16-8(2)17-13(10)18/h3-6H,1-2H3,(H2,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase


Eur J Med Chem 45: 1453-8 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.050
BindingDB Entry DOI: 10.7270/Q2QZ2B4G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%