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 = 36707   
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)
BDBM36707
PNG
(Dansyltyrosine deriviative 26B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C33H26Cl3N3O10S2/c1-38(2)29-7-3-6-24-23(29)5-4-8-31(24)51(46,47)49-21-12-9-19(10-13-21)15-28(33(40)41)37-50(44,45)22-17-26(35)32(27(36)18-22)48-30-14-11-20(39(42)43)16-25(30)34/h3-14,16-18,28,37H,15H2,1-2H3,(H,40,41)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+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