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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate Synthase (TS)' and Monomerid = 36678   
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)
BDBM36678
PNG
(Dansyl derivatives 16A, (S) isomer)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C23H26N4O5S/c1-27(2)20-7-3-6-18-17(20)5-4-8-21(18)33(30,31)32-16-11-9-15(10-12-16)13-19(24)23(29)26-14-22(25)28/h3-12,19H,13-14,24H2,1-2H3,(H2,25,28)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.96E+5n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair