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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 = 36676   
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)
BDBM36676
PNG
(Dansyl derivatives 14A, (S) isomer)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(O)=O)cc1
Show InChI InChI=1/C26H30N2O7S/c1-26(2,3)34-25(31)27-21(24(29)30)16-17-12-14-18(15-13-17)35-36(32,33)23-11-7-8-19-20(23)9-6-10-22(19)28(4)5/h6-15,21H,16H2,1-5H3,(H,27,31)(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+4n/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