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PubMed code 3656346

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


(Lactobacillus casei)		BDBM50024666
PNG
((1,4-Dimethoxy-3-methyl-naphthalen-2-yl)-phosphoni...)
Show SMILES COc1c(C)c(c(OC)c2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C13H15O5P/c1-8-11(17-2)9-6-4-5-7-10(9)12(18-3)13(8)19(14,15)16/h4-7H,1-3H3,(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 2.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity towards L. casei thymidylate synthase was determined

J Med Chem 30: 1705-6 (1987)


BindingDB Entry DOI: 10.7270/Q23F4NNX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%